(6-Methoxybenzo(a)pyren-1-yl) acetate
TL;DR: (6-Methoxybenzo(a)pyren-1-yl) acetate (CAS 74192-52-2) 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-1-yl) acetate
Also Known As: (6-Methoxybenzo(a)pyren-1-yl) acetate, (6-methoxybenzo[a]pyren-1-yl) acetate, 6-methoxybenzo[pqr]tetraphen-1-yl acetate
| Molecular Formula | C23H16O3 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 5.9 |
| 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 | 74192-52-2 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC3=C4C2=C(C=CC4=C(C5=CC=CC=C35)OC)C=C1 |
| InChIKey | HQCUUDRNLFUKNJ-UHFFFAOYSA-N |
Product Overview
(6-Methoxybenzo(a)pyren-1-yl) acetate (CAS 74192-52-2), with molecular formula C23H16O3 and molecular weight 340.11 g/mol. IUPAC: (6-methoxybenzo[a]pyren-1-yl) acetate.
Chemical Property Profile of (6-Methoxybenzo(a)pyren-1-yl) acetate
Property Insights of (6-Methoxybenzo(a)pyren-1-yl) acetate
The XLogP value of 5.9 indicates that (6-Methoxybenzo(a)pyren-1-yl) 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, (6-Methoxybenzo(a)pyren-1-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Methoxybenzo(a)pyren-1-yl) 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 (6-Methoxybenzo(a)pyren-1-yl) acetate?
The CAS number of (6-Methoxybenzo(a)pyren-1-yl) acetate is 74192-52-2.
What is the molecular formula of (6-Methoxybenzo(a)pyren-1-yl) acetate?
The molecular formula of (6-Methoxybenzo(a)pyren-1-yl) acetate is C23H16O3.
What is the molecular weight of (6-Methoxybenzo(a)pyren-1-yl) acetate?
The molecular weight of (6-Methoxybenzo(a)pyren-1-yl) acetate is 340.11 g/mol.
Where can I buy (6-Methoxybenzo(a)pyren-1-yl) acetate?
You can request a quote for (6-Methoxybenzo(a)pyren-1-yl) acetate 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-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Methoxybenzo(a)pyren-1-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.