Benzo(a)pyrene, 7-methoxy-
TL;DR: Benzo(a)pyrene, 7-methoxy- (CAS 63041-71-4) is a chemical compound with molecular formula C21H14O and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxybenzo[a]pyrene
Also Known As: Benzo(a)pyrene, 7-methoxy-, 7-methoxybenzo[a]pyrene, Benzo[a]pyrene, 7-methoxy-, 7-Methoxybenzo[pqr]tetraphene
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 63041-71-4 |
|---|---|
| SMILES | COC1=CC=CC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4 |
| InChIKey | CDOXKSRJQUAIAU-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene, 7-methoxy- (CAS 63041-71-4), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: 7-methoxybenzo[a]pyrene.
Chemical Property Profile of Benzo(a)pyrene, 7-methoxy-
Property Insights of Benzo(a)pyrene, 7-methoxy-
The XLogP value of 6.7 indicates that Benzo(a)pyrene, 7-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzo(a)pyrene, 7-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene, 7-methoxy- has 0 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 Benzo(a)pyrene, 7-methoxy-?
The CAS number of Benzo(a)pyrene, 7-methoxy- is 63041-71-4.
What is the molecular formula of Benzo(a)pyrene, 7-methoxy-?
The molecular formula of Benzo(a)pyrene, 7-methoxy- is C21H14O.
What is the molecular weight of Benzo(a)pyrene, 7-methoxy-?
The molecular weight of Benzo(a)pyrene, 7-methoxy- is 282.10 g/mol.
Where can I buy Benzo(a)pyrene, 7-methoxy-?
You can request a quote for Benzo(a)pyrene, 7-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)pyrene, 7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene, 7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.