AF-399/40827579
TL;DR: AF-399/40827579 (CAS 379238-52-5) is a chemical compound with molecular formula C24H19ClN4O3S3 and molecular weight 542.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-5-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/40827579, ethyl 4-(4-chlorophenyl)-5-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, F1174-0953, ethyl 4-(4-chlorophenyl)-5-methyl-2-(2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamido)thiophene-3-carboxylate, ethyl 2-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate
| Molecular Formula | C24H19ClN4O3S3 |
|---|---|
| Molecular Weight | 542.03 g/mol |
| LogP | 6.54182 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.03076 |
| Heavy Atoms | 35 |
| Complexity | 1555.8494 |
Chemical Identifiers
| CAS Number | 379238-52-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
AF-399/40827579 (CAS 379238-52-5), with molecular formula C24H19ClN4O3S3 and molecular weight 542.03 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-5-methyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40827579
Property Insights of AF-399/40827579
The XLogP value of 6.54182 indicates that AF-399/40827579 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-399/40827579. Following Lipinski's Rule of Five, AF-399/40827579 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40827579?
The CAS number of AF-399/40827579 is 379238-52-5.
What is the molecular formula of AF-399/40827579?
The molecular formula of AF-399/40827579 is C24H19ClN4O3S3.
What is the molecular weight of AF-399/40827579?
The molecular weight of AF-399/40827579 is 542.03 g/mol.
Where can I buy AF-399/40827579?
You can request a quote for AF-399/40827579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40827579?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40827579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.