AF-399/40981349
TL;DR: AF-399/40981349 (CAS 442567-53-5) is a chemical compound with molecular formula C26H23ClN6 and molecular weight 454.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AF-399/40981349, 2-(4-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-((3-(1H-imidazol-1-yl)propyl)amino)-2-(4-chlorobenzyl)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 2-(4-CHLOROBENZYL)-1-{[3-(1H-IMIDAZOL-1-YL)PROPYL]AMINO}-3-METHYLPYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE, 2-[(4-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C26H23ClN6 |
|---|---|
| Molecular Weight | 454.17 g/mol |
| LogP | 5.6105 |
| Topological Polar Surface Area | 70.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.16727 |
| Heavy Atoms | 33 |
| Complexity | 1459.5238 |
Chemical Identifiers
| CAS Number | 442567-53-5 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)NCCCN5C=CN=C5)C#N |
Product Overview
AF-399/40981349 (CAS 442567-53-5), with molecular formula C26H23ClN6 and molecular weight 454.17 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AF-399/40981349
Property Insights of AF-399/40981349
The XLogP value of 5.6105 indicates that AF-399/40981349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40981349. Following Lipinski's Rule of Five, AF-399/40981349 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40981349?
The CAS number of AF-399/40981349 is 442567-53-5.
What is the molecular formula of AF-399/40981349?
The molecular formula of AF-399/40981349 is C26H23ClN6.
What is the molecular weight of AF-399/40981349?
The molecular weight of AF-399/40981349 is 454.17 g/mol.
Where can I buy AF-399/40981349?
You can request a quote for AF-399/40981349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40981349?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40981349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.