AF-399/41048175
TL;DR: AF-399/41048175 (CAS 442572-49-8) is a chemical compound with molecular formula C27H28FN5O and molecular weight 457.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AF-399/41048175, 1-[4-(5-fluoro-2-methoxybenzyl)-1-piperazinyl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-(4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl)-3-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C27H28FN5O |
|---|---|
| Molecular Weight | 457.23 g/mol |
| LogP | 4.78158 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.22778 |
| Heavy Atoms | 34 |
| Complexity | 1381.5513 |
Chemical Identifiers
| CAS Number | 442572-49-8 |
|---|---|
| SMILES | CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CC5=C(C=CC(=C5)F)OC)C#N |
Product Overview
AF-399/41048175 (CAS 442572-49-8), with molecular formula C27H28FN5O and molecular weight 457.23 g/mol. IUPAC: 1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AF-399/41048175
Property Insights of AF-399/41048175
The XLogP value of 4.78158 indicates that AF-399/41048175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, AF-399/41048175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41048175 has 0 hydrogen bond donor(s) and 5 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-399/41048175?
The CAS number of AF-399/41048175 is 442572-49-8.
What is the molecular formula of AF-399/41048175?
The molecular formula of AF-399/41048175 is C27H28FN5O.
What is the molecular weight of AF-399/41048175?
The molecular weight of AF-399/41048175 is 457.23 g/mol.
Where can I buy AF-399/41048175?
You can request a quote for AF-399/41048175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41048175?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41048175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.