6-Hydroxybenzo(a)pyrene
TL;DR: 6-Hydroxybenzo(a)pyrene (CAS 33953-73-0) 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[b]pyren-6-ol
Also Known As: benzo[b]pyren-6-ol, 6-Hydroxybenzo[a]pyrene, 6-Hydroxybenzo(a)pyrene, Benzo(a)pyrenol, Benzo[a]pyren-6-ol
| Molecular Formula | C20H12O |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 5.9 |
| 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 | 33953-73-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | MGTMTTGZMPDIQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Hydroxybenzo(a)pyrene (CAS 33953-73-0), with molecular formula C20H12O and molecular weight 268.09 g/mol. IUPAC: benzo[b]pyren-6-ol.
Chemical Property Profile of 6-Hydroxybenzo(a)pyrene
Property Insights of 6-Hydroxybenzo(a)pyrene
The XLogP value of 5.9 indicates that 6-Hydroxybenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-Hydroxybenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxybenzo(a)pyrene 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 6-Hydroxybenzo(a)pyrene?
The CAS number of 6-Hydroxybenzo(a)pyrene is 33953-73-0.
What is the molecular formula of 6-Hydroxybenzo(a)pyrene?
The molecular formula of 6-Hydroxybenzo(a)pyrene is C20H12O.
What is the molecular weight of 6-Hydroxybenzo(a)pyrene?
The molecular weight of 6-Hydroxybenzo(a)pyrene is 268.09 g/mol.
Where can I buy 6-Hydroxybenzo(a)pyrene?
You can request a quote for 6-Hydroxybenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxybenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxybenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.