AF-399/41048137
TL;DR: AF-399/41048137 (CAS 442572-44-3) is a chemical compound with molecular formula C24H20N6O2 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Also Known As: AF-399/41048137, ethyl 3-[1-(1H-1,2,3-benzotriazol-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, ethyl 3-(1-(1H-benzo[d][1,2,3]triazol-1-yl)-4-cyano-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoate, ethyl 3-[1-(1H-benzotriazol-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
| Molecular Formula | C24H20N6O2 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.8972 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.16476 |
| Heavy Atoms | 32 |
| Complexity | 1539.5209 |
Chemical Identifiers
| CAS Number | 442572-44-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4C5=CC=CC=C5N=N4 |
Product Overview
AF-399/41048137 (CAS 442572-44-3), with molecular formula C24H20N6O2 and molecular weight 424.16 g/mol. IUPAC: ethyl 3-[1-(benzotriazol-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate.
Chemical Property Profile of AF-399/41048137
Property Insights of AF-399/41048137
The XLogP value of 3.8972 indicates that AF-399/41048137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41048137. Following Lipinski's Rule of Five, AF-399/41048137 has 0 hydrogen bond donor(s) and 6 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 AF-399/41048137?
The CAS number of AF-399/41048137 is 442572-44-3.
What is the molecular formula of AF-399/41048137?
The molecular formula of AF-399/41048137 is C24H20N6O2.
What is the molecular weight of AF-399/41048137?
The molecular weight of AF-399/41048137 is 424.16 g/mol.
Where can I buy AF-399/41048137?
You can request a quote for AF-399/41048137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41048137?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41048137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.