Chrysene,2-diol-3,4-epoxide-1
TL;DR: Chrysene,2-diol-3,4-epoxide-1 (CAS 67252-82-8) 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.
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: Anti-cde, chrysene,2-diol-3,4-epoxide-1, chrysene-1,2-diol-3,4-epoxide-1, chrysene-1,2-diol-3,4-epoxide-2, syn-Chrysene-1,2-diol-3,4-epoxide
| 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 | 67252-82-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C5C(O5)C(C4O)O |
| InChIKey | KPTYXJLOWLVCMU-UHFFFAOYSA-N |
Product Overview
Chrysene,2-diol-3,4-epoxide-1 (CAS 67252-82-8), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: 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 Chrysene,2-diol-3,4-epoxide-1
Property Insights of Chrysene,2-diol-3,4-epoxide-1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysene,2-diol-3,4-epoxide-1. With a topological polar surface area (TPSA) of 53.0 Ų, Chrysene,2-diol-3,4-epoxide-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysene,2-diol-3,4-epoxide-1 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 Chrysene,2-diol-3,4-epoxide-1?
The CAS number of Chrysene,2-diol-3,4-epoxide-1 is 67252-82-8.
What is the molecular formula of Chrysene,2-diol-3,4-epoxide-1?
The molecular formula of Chrysene,2-diol-3,4-epoxide-1 is C18H14O3.
What is the molecular weight of Chrysene,2-diol-3,4-epoxide-1?
The molecular weight of Chrysene,2-diol-3,4-epoxide-1 is 278.09 g/mol.
Where can I buy Chrysene,2-diol-3,4-epoxide-1?
You can request a quote for Chrysene,2-diol-3,4-epoxide-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysene,2-diol-3,4-epoxide-1?
Yes, KEHONG BIO provides custom synthesis services for Chrysene,2-diol-3,4-epoxide-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.