AF-399/40852132
TL;DR: AF-399/40852132 (CAS 379238-22-9) is a chemical compound with molecular formula C21H25N5OS and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: AF-399/40852132, 1-(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one, 1-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanone, 1-(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethanone, 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(1-phenyl(1,2,3,4-tetraazol-5-ylthi o))ethan-1-one
| Molecular Formula | C21H25N5OS |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 4.56084 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.17798 |
| Heavy Atoms | 28 |
| Complexity | 956.5937 |
Chemical Identifiers
| CAS Number | 379238-22-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2CCCCC2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
AF-399/40852132 (CAS 379238-22-9), with molecular formula C21H25N5OS and molecular weight 395.18 g/mol. IUPAC: 1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of AF-399/40852132
Property Insights of AF-399/40852132
The XLogP value of 4.56084 indicates that AF-399/40852132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40852132. Following Lipinski's Rule of Five, AF-399/40852132 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-399/40852132?
The CAS number of AF-399/40852132 is 379238-22-9.
What is the molecular formula of AF-399/40852132?
The molecular formula of AF-399/40852132 is C21H25N5OS.
What is the molecular weight of AF-399/40852132?
The molecular weight of AF-399/40852132 is 395.18 g/mol.
Where can I buy AF-399/40852132?
You can request a quote for AF-399/40852132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40852132?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40852132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.