Benzo(a)pyren-3-ol, 6-methoxy-
TL;DR: Benzo(a)pyren-3-ol, 6-methoxy- (CAS 67013-66-5) is a chemical compound with molecular formula C21H14O2 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxybenzo[a]pyren-3-ol
Also Known As: Benzo(a)pyren-3-ol, 6-methoxy-, 6-methoxybenzo[a]pyren-3-ol, 6-methoxybenzo[pqr]tetraphen-3-ol
| Molecular Formula | C21H14O2 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.09937 |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 67013-66-5 |
|---|---|
| SMILES | COC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C5=CC=CC=C51)O |
| InChIKey | ZRYIFFZCYUYQLB-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-3-ol, 6-methoxy- (CAS 67013-66-5), with molecular formula C21H14O2 and molecular weight 298.10 g/mol. IUPAC: 6-methoxybenzo[a]pyren-3-ol.
Chemical Property Profile of Benzo(a)pyren-3-ol, 6-methoxy-
Property Insights of Benzo(a)pyren-3-ol, 6-methoxy-
The XLogP value of 5.9 indicates that Benzo(a)pyren-3-ol, 6-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzo(a)pyren-3-ol, 6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyren-3-ol, 6-methoxy- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyren-3-ol, 6-methoxy-?
The CAS number of Benzo(a)pyren-3-ol, 6-methoxy- is 67013-66-5.
What is the molecular formula of Benzo(a)pyren-3-ol, 6-methoxy-?
The molecular formula of Benzo(a)pyren-3-ol, 6-methoxy- is C21H14O2.
What is the molecular weight of Benzo(a)pyren-3-ol, 6-methoxy-?
The molecular weight of Benzo(a)pyren-3-ol, 6-methoxy- is 298.10 g/mol.
Where can I buy Benzo(a)pyren-3-ol, 6-methoxy-?
You can request a quote for Benzo(a)pyren-3-ol, 6-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyren-3-ol, 6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-3-ol, 6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.