B(e)P diol epoxide-1
TL;DR: B(e)P diol epoxide-1 (CAS 74465-36-4) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol
Also Known As: B(e)P diol epoxide-1, (+-)-9-alpha,10-beta-Dihydroxy-11-alpha,12-alpha-epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene, Benzo(e)pyrene, 9,10,11,12-tetrahydro-9-alpha,10-beta-dihydroxy-11-alpha,12-alpha-epoxy-, (+-)-, 1a,10,11,11c-Tetrahydrobenzo[10,11]chryseno[5,6-b]oxirene-10,11-diol, BENZO(e)PYRENE, 9,10,11,12-TETRAHYDRO-9-beta,10-alpha-DIHYDROXY-11-beta,12-beta-
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 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 | 302.0943 |
| Heavy Atoms | 23 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 74465-36-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)[C@@H]4[C@@H](O4)C5=C3C(=CC6=C5[C@@H]([C@H](C=C6)O)O)C=C2 |
| InChIKey | WDFBJZJMHQXNPD-HAEOHBJNSA-N |
Product Overview
B(e)P diol epoxide-1 (CAS 74465-36-4), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: (3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol.
Chemical Property Profile of B(e)P diol epoxide-1
Property Insights of B(e)P diol epoxide-1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B(e)P diol epoxide-1. With a topological polar surface area (TPSA) of 53.0 Ų, B(e)P diol epoxide-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B(e)P diol 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 B(e)P diol epoxide-1?
The CAS number of B(e)P diol epoxide-1 is 74465-36-4.
What is the molecular formula of B(e)P diol epoxide-1?
The molecular formula of B(e)P diol epoxide-1 is C20H14O3.
What is the molecular weight of B(e)P diol epoxide-1?
The molecular weight of B(e)P diol epoxide-1 is 302.09 g/mol.
Where can I buy B(e)P diol epoxide-1?
You can request a quote for B(e)P diol epoxide-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B(e)P diol epoxide-1?
Yes, KEHONG BIO provides custom synthesis services for B(e)P diol epoxide-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.