syn-Chrysene-1,2-diol-3,4-epoxide
TL;DR: syn-Chrysene-1,2-diol-3,4-epoxide (CAS 64920-33-8) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: syn-Chrysene-1,2-diol-3,4-epoxide, NIOSH/GC2061000, anti-Chrysene-1,2-diol 3,4-oxide, Chrysene 1,2-diol-3,4-epoxide-2, 5-17-05-00479 (Beilstein Handbook Reference)
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 64920-33-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@H]5[C@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | KPTYXJLOWLVCMU-VSZNYVQBSA-N |
Product Overview
syn-Chrysene-1,2-diol-3,4-epoxide (CAS 64920-33-8), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
Chemical Property Profile of syn-Chrysene-1,2-diol-3,4-epoxide
Property Insights of syn-Chrysene-1,2-diol-3,4-epoxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for syn-Chrysene-1,2-diol-3,4-epoxide. With a topological polar surface area (TPSA) of 53.0 Ų, syn-Chrysene-1,2-diol-3,4-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, syn-Chrysene-1,2-diol-3,4-epoxide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of syn-Chrysene-1,2-diol-3,4-epoxide?
The CAS number of syn-Chrysene-1,2-diol-3,4-epoxide is 64920-33-8.
What is the molecular formula of syn-Chrysene-1,2-diol-3,4-epoxide?
The molecular formula of syn-Chrysene-1,2-diol-3,4-epoxide is C18H14O3.
What is the molecular weight of syn-Chrysene-1,2-diol-3,4-epoxide?
The molecular weight of syn-Chrysene-1,2-diol-3,4-epoxide is 278.09 g/mol.
Where can I buy syn-Chrysene-1,2-diol-3,4-epoxide?
You can request a quote for syn-Chrysene-1,2-diol-3,4-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for syn-Chrysene-1,2-diol-3,4-epoxide?
Yes, KEHONG BIO provides custom synthesis services for syn-Chrysene-1,2-diol-3,4-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.