AF-399/40756884
TL;DR: AF-399/40756884 (CAS 379236-61-0) is a chemical compound with molecular formula C25H22N4O4S2 and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/40756884, F1441-0144, ethyl 4-(5-methylfuran-2-yl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate, ethyl 2-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)-4-(5-methylfuran-2-yl)thiophene-3-carboxylate, ETHYL 2-[2-({5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDO]-4-(5-METHYLFURAN-2-YL)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C25H22N4O4S2 |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 5.72834 |
| Topological Polar Surface Area | 98.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.10825 |
| Heavy Atoms | 35 |
| Complexity | 1566.5518 |
Chemical Identifiers
| CAS Number | 379236-61-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C |
Product Overview
AF-399/40756884 (CAS 379236-61-0), with molecular formula C25H22N4O4S2 and molecular weight 506.11 g/mol. IUPAC: ethyl 4-(5-methylfuran-2-yl)-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-399/40756884
Property Insights of AF-399/40756884
The XLogP value of 5.72834 indicates that AF-399/40756884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756884. Following Lipinski's Rule of Five, AF-399/40756884 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-399/40756884?
The CAS number of AF-399/40756884 is 379236-61-0.
What is the molecular formula of AF-399/40756884?
The molecular formula of AF-399/40756884 is C25H22N4O4S2.
What is the molecular weight of AF-399/40756884?
The molecular weight of AF-399/40756884 is 506.11 g/mol.
Where can I buy AF-399/40756884?
You can request a quote for AF-399/40756884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756884?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.