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Bisphenol Z-d6

CAT: 0804-HY-W013326SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013326SSize:1 mg
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Description
Bisphenol Z-d6 is the deuterium labeled 4,4'- (Cyclohexane-1,1-diyl) diphenol.
CAS Number
2733972-12-6
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
OC1=CC=C(C2(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C2)C3=CC=C(C=C3)O)C=C1
Molecular Formula
C18H14D6O2
Molecular Weight
274.39
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Bisphenol Z-d6
CAS Number2733972-12-6
PubChem CID162642337
IUPAC Name4-[3,3,4,4,5,5-hexadeuterio-1-(4-hydroxyphenyl)cyclohexyl]phenol
Molecular FormulaC18H20O2
Molecular Weight274.4
XLogP5.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity269
SMILES
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[2H]
InChI
InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2/i1D2,2D2,3D2
InChIKey
SDDLEVPIDBLVHC-NMFSSPJFSA-N
Chemical Structure
2D Structure
2D structure of Bisphenol Z-d6
CAS: 2733972-12-6
CID: 162642337
Formula: C18H20O2
MW: 274.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass274.183990352
Monoisotopic Mass274.183990352
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity269
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-W777677Bisphenol b-D-glucuronide A-d6
HY-126199S(Z) -Tetrachlorvinphos-d6
HY-W751295S1Bisphenol A diglycidyl ether phenol-diol-d6
HY-W101987S2Bisphenol A bis (2,3-dihydroxypropyl) ether-d6
HY-B0274CS(E/Z) -Chlorprothixene-d6 (hydrochloride)

Alternative Products

CatalogName
TRC-B519653-1MGBisphenol Z-d6
sc-210952BBisphenol A-d6
574593Bisphenol Z
TRC-B519519-10MGBisphenol G-d6
LDA58858Bisphenol A- (dimethyl-d6)
sc-474144Tetramethyl Bisphenol A-d6
443013Bisphenol Z-13C12
443012-01Bisphenol Z Monosulfate
TRC-B519502-2.5MGBisphenol A-d6 Diglycidyl Ether
TRC-B519521-2.5MGBisphenol G-d6 (Major)

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