AF-399/37285013
TL;DR: AF-399/37285013 (CAS 342780-83-0) is a chemical compound with molecular formula C25H22ClN5 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[4-(4-chlorophenyl)piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: AF-399/37285013, 11-[4-(4-chlorophenyl)-1-piperazinyl]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 11-[4-(4-chlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 16-[4-(4-Chlorophenyl)piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile, 11-(4-(4-chlorophenyl)piperazin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile
| Molecular Formula | C25H22ClN5 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 4.82788 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.15637 |
| Heavy Atoms | 31 |
| Complexity | 1340.8485 |
Chemical Identifiers
| CAS Number | 342780-83-0 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)C6=CC=C(C=C6)Cl)C#N |
Product Overview
AF-399/37285013 (CAS 342780-83-0), with molecular formula C25H22ClN5 and molecular weight 427.16 g/mol. IUPAC: 16-[4-(4-chlorophenyl)piperazin-1-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of AF-399/37285013
Property Insights of AF-399/37285013
The XLogP value of 4.82788 indicates that AF-399/37285013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, AF-399/37285013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/37285013 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-399/37285013?
The CAS number of AF-399/37285013 is 342780-83-0.
What is the molecular formula of AF-399/37285013?
The molecular formula of AF-399/37285013 is C25H22ClN5.
What is the molecular weight of AF-399/37285013?
The molecular weight of AF-399/37285013 is 427.16 g/mol.
Where can I buy AF-399/37285013?
You can request a quote for AF-399/37285013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/37285013?
Yes, KEHONG BIO provides custom synthesis services for AF-399/37285013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.