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BISPHENOL-A-3,3',5,5'-d4

CAT: 0931-TMID-0092-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0092-01Size:1 mg
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CAS Number
347841-41-2
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
BISPHENOL-A-3,3',5,5'-d4 is a deuterated compound of BISPHENOL-A. BISPHENOL-A has a CAS number of 80-05-7. Bisphenol A is a starting material for the synthesis of plastics, primarily certain polycarbonates and epoxy resins, as well as some polysulfones and certain niche materials. It exhibits estrogen-mimicking, hormone-like properties.
Smiles
C(C)(C)(C1=CC(=C(O)C(=C1)[2H])[2H])C2=CC(=C(O)C(=C2)[2H])[2H]
Molecular Formula
C15H12D4O2
Molecular Weight
232.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bisphenol A-3,3',5,5'-d4

See also: Bisphenol A (annotation moved to); Phenol, 4,4'-(1-methylethylidene)bis-, homopolymer (annotation moved to); Polycarbonates (annotation moved to) ... View More ...

CAS Number347841-41-2
PubChem CID92043868
IUPAC Name2,6-dideuterio-4-[2-(3,5-dideuterio-4-hydroxyphenyl)propan-2-yl]phenol
Molecular FormulaC15H16O2
Molecular Weight232.31
XLogP3.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity209
SMILES
[2H]C1=CC(=CC(=C1O)[2H])C(C)(C)C2=CC(=C(C(=C2)[2H])O)[2H]
InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i7D,8D,9D,10D
InChIKey
IISBACLAFKSPIT-ULDPCNCHSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol A-3,3',5,5'-d4
CAS: 347841-41-2
CID: 92043868
Formula: C15H16O2
MW: 232.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.31
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass232.140136733
Monoisotopic Mass232.140136733
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity209
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TMID-0094-01Hexafluorobisphenol A-3,3′,5,5′-d4
TMID-0090-01BISPHENOL-A-2,2',3,3',5,5',6,6'-d8
TMID-0093-01BISPHENOL-A-2,2',6,6'-d4
TMIJ-0415-012-Chlorophenol-d4 (3,4,5,6-d4)
TMIJ-0070-01Androstane-3,5,6-triol-d4
T5623-01Bisphenol A
TMIJ-0057-015α-Dihydrotestosterone-d4
TMIJ-0507-01Dipentyl phthalate-3,4,5,6-d4
TMIJ-0407-01Diphenyl phthalate-3,4,5,6-d4
T60398-01Dimethyl-bisphenol A

Alternative Products

CatalogName
TRC-B519508-5MGBisphenol A-3,3',5,5'-d4
CS-O-59424Momelotinib-d4 (morpholinyl-3,3,5,5-d4)
CS-C-00782Loratadine-d4 (piperidinylidene-3,3,5,5-d4)
TRC-K186006-10MG(±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4)
HY-B0539S2Desloratadine-3,3,5,5-d4
HY-18260S4-01Bisphenol A-d4
CS-O-42013Morpholine-3,3,5,5-d4 hydrochloride
MBS393843Methyl Hexacosanoate (3,3,5,5-D4)
MBS393840Methyl Tetracosanoate (3,3,5,5-D4)
MBS393835Methyl Docosanoate (3,3,5,5-D4)

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