AF-399/15031083
TL;DR: AF-399/15031083 (CAS 314261-50-2) is a chemical compound with molecular formula C26H21ClN4O3S2 and molecular weight 536.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chlorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/15031083, ethyl 4-(2-chlorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, F0863-0338, ethyl 4-(2-chlorophenyl)-2-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)thiophene-3-carboxylate, ETHYL 4-(2-CHLOROPHENYL)-2-[2-({5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDO]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C26H21ClN4O3S2 |
|---|---|
| Molecular Weight | 536.07 g/mol |
| LogP | 6.48032 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.07434 |
| Heavy Atoms | 36 |
| Complexity | 1611.9084 |
Chemical Identifiers
| CAS Number | 314261-50-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C |
Product Overview
AF-399/15031083 (CAS 314261-50-2), with molecular formula C26H21ClN4O3S2 and molecular weight 536.07 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15031083
Property Insights of AF-399/15031083
The XLogP value of 6.48032 indicates that AF-399/15031083 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-399/15031083. Following Lipinski's Rule of Five, AF-399/15031083 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15031083?
The CAS number of AF-399/15031083 is 314261-50-2.
What is the molecular formula of AF-399/15031083?
The molecular formula of AF-399/15031083 is C26H21ClN4O3S2.
What is the molecular weight of AF-399/15031083?
The molecular weight of AF-399/15031083 is 536.07 g/mol.
Where can I buy AF-399/15031083?
You can request a quote for AF-399/15031083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031083?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.