Benzo(e)pyren-9-ol
TL;DR: Benzo(e)pyren-9-ol (CAS 77508-13-5) is a chemical compound with molecular formula C20H12O and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[e]pyren-9-ol
Also Known As: benzo[e]pyren-9-ol, Benzo(e)pyren-9-ol, 9-Hydroxybenzo
| Molecular Formula | C20H12O |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0888 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 77508-13-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=C(C5=CC=CC(=C53)C=C2)C(=CC=C4)O |
| InChIKey | JJTONHIPKPNTGS-UHFFFAOYSA-N |
Product Overview
Benzo(e)pyren-9-ol (CAS 77508-13-5), with molecular formula C20H12O and molecular weight 268.09 g/mol. IUPAC: benzo[e]pyren-9-ol.
Chemical Property Profile of Benzo(e)pyren-9-ol
Property Insights of Benzo(e)pyren-9-ol
The XLogP value of 5.4 indicates that Benzo(e)pyren-9-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzo(e)pyren-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(e)pyren-9-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(e)pyren-9-ol?
The CAS number of Benzo(e)pyren-9-ol is 77508-13-5.
What is the molecular formula of Benzo(e)pyren-9-ol?
The molecular formula of Benzo(e)pyren-9-ol is C20H12O.
What is the molecular weight of Benzo(e)pyren-9-ol?
The molecular weight of Benzo(e)pyren-9-ol is 268.09 g/mol.
Where can I buy Benzo(e)pyren-9-ol?
You can request a quote for Benzo(e)pyren-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(e)pyren-9-ol?
Yes, KEHONG BIO provides custom synthesis services for Benzo(e)pyren-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.