AF-399/41048102
TL;DR: AF-399/41048102 (CAS 384802-34-0) is a chemical compound with molecular formula C27H32N6 and molecular weight 440.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AF-399/41048102, 1-{4-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)ETHYL]-1-PIPERAZINYL}-2-ETHYL-3-METHYLPYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 1-(4-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)piperazin-1-yl)-2-ethyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-{4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C27H32N6 |
|---|---|
| Molecular Weight | 440.27 g/mol |
| LogP | 4.47054 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.26886 |
| Heavy Atoms | 33 |
| Complexity | 1341.7706 |
Chemical Identifiers
| CAS Number | 384802-34-0 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CCN5C(=CC=C5C)C |
Product Overview
AF-399/41048102 (CAS 384802-34-0), with molecular formula C27H32N6 and molecular weight 440.27 g/mol. IUPAC: 1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AF-399/41048102
Property Insights of AF-399/41048102
The XLogP value of 4.47054 indicates that AF-399/41048102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, AF-399/41048102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41048102 has 0 hydrogen bond donor(s) and 4 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-399/41048102?
The CAS number of AF-399/41048102 is 384802-34-0.
What is the molecular formula of AF-399/41048102?
The molecular formula of AF-399/41048102 is C27H32N6.
What is the molecular weight of AF-399/41048102?
The molecular weight of AF-399/41048102 is 440.27 g/mol.
Where can I buy AF-399/41048102?
You can request a quote for AF-399/41048102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41048102?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41048102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.