Benzo(a)pyren-12-ol, 6-methoxy-, acetate
TL;DR: Benzo(a)pyren-12-ol, 6-methoxy-, acetate (CAS 74192-54-4) is a chemical compound with molecular formula C23H16O3 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxybenzo[a]pyren-12-yl) acetate
Also Known As: 12-Acetoxy-6-methoxybenzo(a)pyrene, Benzo(a)pyren-12-ol, 6-methoxy-, acetate, (6-methoxybenzo[a]pyren-12-yl) acetate, 6-methoxybenzo[pqr]tetraphen-12-yl acetate
| Molecular Formula | C23H16O3 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.10995 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 74192-54-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C3C(=C(C4=CC=CC=C42)OC)C=CC5=C3C1=CC=C5 |
| InChIKey | PBLSKFCDRQIRCA-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-12-ol, 6-methoxy-, acetate (CAS 74192-54-4), with molecular formula C23H16O3 and molecular weight 340.11 g/mol. IUPAC: (6-methoxybenzo[a]pyren-12-yl) acetate.
Chemical Property Profile of Benzo(a)pyren-12-ol, 6-methoxy-, acetate
Property Insights of Benzo(a)pyren-12-ol, 6-methoxy-, acetate
The XLogP value of 6.0 indicates that Benzo(a)pyren-12-ol, 6-methoxy-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzo(a)pyren-12-ol, 6-methoxy-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyren-12-ol, 6-methoxy-, acetate has 0 hydrogen bond donor(s) and 3 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-12-ol, 6-methoxy-, acetate?
The CAS number of Benzo(a)pyren-12-ol, 6-methoxy-, acetate is 74192-54-4.
What is the molecular formula of Benzo(a)pyren-12-ol, 6-methoxy-, acetate?
The molecular formula of Benzo(a)pyren-12-ol, 6-methoxy-, acetate is C23H16O3.
What is the molecular weight of Benzo(a)pyren-12-ol, 6-methoxy-, acetate?
The molecular weight of Benzo(a)pyren-12-ol, 6-methoxy-, acetate is 340.11 g/mol.
Where can I buy Benzo(a)pyren-12-ol, 6-methoxy-, acetate?
You can request a quote for Benzo(a)pyren-12-ol, 6-methoxy-, acetate 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-12-ol, 6-methoxy-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-12-ol, 6-methoxy-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.