AF-399/41111239
TL;DR: AF-399/41111239 (CAS 496023-60-0) is a chemical compound with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AF-399/41111239, methyl 4-[({[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-{2-[5-(4-methylphenyl)-1,3-thiazolino[3,2-d]1,2,4-triazol-3-ylthio]ac etylamino}benzoate
| Molecular Formula | C21H18N4O3S2 |
|---|---|
| Molecular Weight | 438.08 g/mol |
| LogP | 4.28362 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.08203 |
| Heavy Atoms | 30 |
| Complexity | 1197.4574 |
Chemical Identifiers
| CAS Number | 496023-60-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
AF-399/41111239 (CAS 496023-60-0), with molecular formula C21H18N4O3S2 and molecular weight 438.08 g/mol. IUPAC: methyl 4-[[2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AF-399/41111239
Property Insights of AF-399/41111239
The XLogP value of 4.28362 indicates that AF-399/41111239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41111239. Following Lipinski's Rule of Five, AF-399/41111239 has 1 hydrogen bond donor(s) and 7 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-399/41111239?
The CAS number of AF-399/41111239 is 496023-60-0.
What is the molecular formula of AF-399/41111239?
The molecular formula of AF-399/41111239 is C21H18N4O3S2.
What is the molecular weight of AF-399/41111239?
The molecular weight of AF-399/41111239 is 438.08 g/mol.
Where can I buy AF-399/41111239?
You can request a quote for AF-399/41111239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41111239?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41111239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.