Benzo(a)pyrene-6-carboxamide
TL;DR: Benzo(a)pyrene-6-carboxamide (CAS 21247-99-4) is a chemical compound with molecular formula C21H13NO and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]pyrene-6-carboxamide
Also Known As: Benzo(a)pyrene-6-carboxamide, benzo[b]pyrene-6-carboxamide, Benzo[pqr]tetraphene-6-carboxamide
| Molecular Formula | C21H13NO |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 4.8361 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0997 |
| Heavy Atoms | 23 |
| Complexity | 1220.8824 |
Chemical Identifiers
| CAS Number | 21247-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2C(=O)N)C=CC5=CC=CC(=C54)C=C3 |
Product Overview
Benzo(a)pyrene-6-carboxamide (CAS 21247-99-4), with molecular formula C21H13NO and molecular weight 295.10 g/mol. IUPAC: benzo[b]pyrene-6-carboxamide.
Chemical Property Profile of Benzo(a)pyrene-6-carboxamide
Property Insights of Benzo(a)pyrene-6-carboxamide
The XLogP value of 4.8361 indicates that Benzo(a)pyrene-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, Benzo(a)pyrene-6-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-6-carboxamide has 1 hydrogen bond donor(s) and 1 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-6-carboxamide?
The CAS number of Benzo(a)pyrene-6-carboxamide is 21247-99-4.
What is the molecular formula of Benzo(a)pyrene-6-carboxamide?
The molecular formula of Benzo(a)pyrene-6-carboxamide is C21H13NO.
What is the molecular weight of Benzo(a)pyrene-6-carboxamide?
The molecular weight of Benzo(a)pyrene-6-carboxamide is 295.10 g/mol.
Where can I buy Benzo(a)pyrene-6-carboxamide?
You can request a quote for Benzo(a)pyrene-6-carboxamide 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-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.