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Bemotrizinol

CAT: 0013-GTR19155636-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155636-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bemotrizinol is a UVA absorber used as a topical sunscreen.
CAS Number
187393-00-6
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO:Insoluble; Water:Insoluble
Smiles
CCCCC (CC) COC1=CC (=C (C=C1) C2=NC (=NC (=N2) C3=CC=C (C=C3) OC) C4=C (C=C (C=C4) OCC (CC) CCCC) O) O
Molecular Formula
C38H49N3O5
Molecular Weight
627.81
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bemotrizinol

Bemotrizinol is a member of methoxybenzenes.

CAS Number187393-00-6
PubChem CID135487856
IUPAC Name5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
Molecular FormulaC38H49N3O5
Molecular Weight627.8
XLogP10.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity761
SMILES
CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O
InChI
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3
InChIKey
XVAMCHGMPYWHNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bemotrizinol
CAS: 187393-00-6
CID: 135487856
Formula: C38H49N3O5
MW: 627.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight627.8
XLogP310.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass627.36722167
Monoisotopic Mass627.36722167
Topological Polar Surface Area107 Ų
Heavy Atom Count46
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BUP19596Bemotrizinol
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