Benzo(a)pyrene-1,6-dione
TL;DR: Benzo(a)pyrene-1,6-dione (CAS 3067-13-8) is a chemical compound with molecular formula C20H10O2 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]pyrene-1,6-dione
Also Known As: Benzo[a]pyrene-1,6-dione, BP-1,6-Quinone, Benzo[a]pyrene-1,6-quinone, benzo[b]pyrene-1,6-dione, Benzo(a)pyrene-1,6-quinone
| Molecular Formula | C20H10O2 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.06808 |
| Heavy Atoms | 22 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 3067-13-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=C4C(=O)C=CC5=C4C3=C(C2=O)C=C5 |
| InChIKey | OXWHZARNAGLRFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(a)pyrene-1,6-dione (CAS 3067-13-8), with molecular formula C20H10O2 and molecular weight 282.07 g/mol. IUPAC: benzo[b]pyrene-1,6-dione.
Chemical Property Profile of Benzo(a)pyrene-1,6-dione
Property Insights of Benzo(a)pyrene-1,6-dione
The XLogP value of 4.3 indicates that Benzo(a)pyrene-1,6-dione 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-1,6-dione 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?
The CAS number of Benzo(a)pyrene-1,6-dione is 3067-13-8.
What is the molecular formula of Benzo(a)pyrene-1,6-dione?
The molecular formula of Benzo(a)pyrene-1,6-dione is C20H10O2.
What is the molecular weight of Benzo(a)pyrene-1,6-dione?
The molecular weight of Benzo(a)pyrene-1,6-dione is 282.07 g/mol.
Where can I buy Benzo(a)pyrene-1,6-dione?
You can request a quote for Benzo(a)pyrene-1,6-dione 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?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.