6-Methoxybenzo(a)pyren-1-ol
TL;DR: 6-Methoxybenzo(a)pyren-1-ol (CAS 74192-57-7) 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-1-ol
Also Known As: 6-Methoxybenzo(a)pyren-1-ol, 6-methoxybenzo[a]pyren-1-ol, 6-methoxybenzo[pqr]tetraphen-1-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 | 74192-57-7 |
|---|---|
| SMILES | COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)O)C5=CC=CC=C51 |
| InChIKey | PDXXUTPLRGAPEL-UHFFFAOYSA-N |
Product Overview
6-Methoxybenzo(a)pyren-1-ol (CAS 74192-57-7), with molecular formula C21H14O2 and molecular weight 298.10 g/mol. IUPAC: 6-methoxybenzo[a]pyren-1-ol.
Chemical Property Profile of 6-Methoxybenzo(a)pyren-1-ol
Property Insights of 6-Methoxybenzo(a)pyren-1-ol
The XLogP value of 5.9 indicates that 6-Methoxybenzo(a)pyren-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 6-Methoxybenzo(a)pyren-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxybenzo(a)pyren-1-ol 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 6-Methoxybenzo(a)pyren-1-ol?
The CAS number of 6-Methoxybenzo(a)pyren-1-ol is 74192-57-7.
What is the molecular formula of 6-Methoxybenzo(a)pyren-1-ol?
The molecular formula of 6-Methoxybenzo(a)pyren-1-ol is C21H14O2.
What is the molecular weight of 6-Methoxybenzo(a)pyren-1-ol?
The molecular weight of 6-Methoxybenzo(a)pyren-1-ol is 298.10 g/mol.
Where can I buy 6-Methoxybenzo(a)pyren-1-ol?
You can request a quote for 6-Methoxybenzo(a)pyren-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxybenzo(a)pyren-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxybenzo(a)pyren-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.