3-Aminobenzo(a)pyrene
TL;DR: 3-Aminobenzo(a)pyrene (CAS 5465-05-4) is a chemical compound with molecular formula C20H13N and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]pyren-3-amine
Also Known As: 3-Aminobenzo(a)pyrene, Benzo(a)pyren-3-amine, 3-aminobenzo pyrene, benzo[a]pyren-3-amine, Benzo(a)pyrene, 3-amino-
| Molecular Formula | C20H13N |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.1048 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 5465-05-4 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)N |
| InChIKey | QBWLAIGPKULPQC-UHFFFAOYSA-N |
Product Overview
3-Aminobenzo(a)pyrene (CAS 5465-05-4), with molecular formula C20H13N and molecular weight 267.10 g/mol. IUPAC: benzo[a]pyren-3-amine.
Chemical Property Profile of 3-Aminobenzo(a)pyrene
Property Insights of 3-Aminobenzo(a)pyrene
The XLogP value of 5.6 indicates that 3-Aminobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Aminobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aminobenzo(a)pyrene has 1 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 3-Aminobenzo(a)pyrene?
The CAS number of 3-Aminobenzo(a)pyrene is 5465-05-4.
What is the molecular formula of 3-Aminobenzo(a)pyrene?
The molecular formula of 3-Aminobenzo(a)pyrene is C20H13N.
What is the molecular weight of 3-Aminobenzo(a)pyrene?
The molecular weight of 3-Aminobenzo(a)pyrene is 267.10 g/mol.
Where can I buy 3-Aminobenzo(a)pyrene?
You can request a quote for 3-Aminobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aminobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Aminobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.