4-氮杂芘
TL;DR: 4-氮杂芘 (CAS 194-03-6) is a chemical compound with molecular formula C15H9N and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氮杂芘
benzo[lmn]phenanthridine
Also Known As: 4-Azapyrene, Thebenidine, Pyrenidine, Thebenidine-, Thebenidin-
| Molecular Formula | C15H9N |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.0735 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 194-03-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=NC4=CC=CC(=C43)C=C2 |
| InChIKey | YEELFSTYCPPLQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氮杂芘 (CAS 194-03-6), with molecular formula C15H9N and molecular weight 203.07 g/mol. IUPAC: benzo[lmn]phenanthridine.
Chemical Property Profile of 4-氮杂芘
Property Insights of 4-氮杂芘
The XLogP value of 4.1 indicates that 4-氮杂芘 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 4-氮杂芘 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氮杂芘 has 0 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 4-氮杂芘?
The CAS number of 4-氮杂芘 is 194-03-6.
What is the molecular formula of 4-氮杂芘?
The molecular formula of 4-氮杂芘 is C15H9N.
What is the molecular weight of 4-氮杂芘?
The molecular weight of 4-氮杂芘 is 203.07 g/mol.
Where can I buy 4-氮杂芘?
You can request a quote for 4-氮杂芘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氮杂芘?
Yes, KEHONG BIO provides custom synthesis services for 4-氮杂芘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.