Benzo(a)pyrene-1,6-dione, 7-methyl-
TL;DR: Benzo(a)pyrene-1,6-dione, 7-methyl- (CAS 79418-85-2) is a chemical compound with molecular formula C21H12O2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylbenzo[b]pyrene-1,6-dione
Also Known As: Benzo(a)pyrene-1,6-dione, 7-methyl-, 7-methylbenzo[b]pyrene-1,6-dione, 7-methylbenzo[pqr]tetraphene-1,6-dione
| Molecular Formula | C21H12O2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.08374 |
| Heavy Atoms | 23 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 79418-85-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=CC=C4C(=O)C=CC5=C4C3=C(C2=O)C=C5 |
| InChIKey | HLHRRFLJLRNTBE-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene-1,6-dione, 7-methyl- (CAS 79418-85-2), with molecular formula C21H12O2 and molecular weight 296.08 g/mol. IUPAC: 7-methylbenzo[b]pyrene-1,6-dione.
Chemical Property Profile of Benzo(a)pyrene-1,6-dione, 7-methyl-
Property Insights of Benzo(a)pyrene-1,6-dione, 7-methyl-
The XLogP value of 4.7 indicates that Benzo(a)pyrene-1,6-dione, 7-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Benzo(a)pyrene-1,6-dione, 7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-1,6-dione, 7-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-1,6-dione, 7-methyl-?
The CAS number of Benzo(a)pyrene-1,6-dione, 7-methyl- is 79418-85-2.
What is the molecular formula of Benzo(a)pyrene-1,6-dione, 7-methyl-?
The molecular formula of Benzo(a)pyrene-1,6-dione, 7-methyl- is C21H12O2.
What is the molecular weight of Benzo(a)pyrene-1,6-dione, 7-methyl-?
The molecular weight of Benzo(a)pyrene-1,6-dione, 7-methyl- is 296.08 g/mol.
Where can I buy Benzo(a)pyrene-1,6-dione, 7-methyl-?
You can request a quote for Benzo(a)pyrene-1,6-dione, 7-methyl- 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-1,6-dione, 7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-1,6-dione, 7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.