AF-399/13909156
TL;DR: AF-399/13909156 (CAS 342778-69-2) is a chemical compound with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: AF-399/13909156, 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 3-methyl-5-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-2,4-thiophenedicarboxylate, 4-ethyl 2-methyl 3-methyl-5-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl}amino)-2,4-thiophenedicarboxylate, 4-ethyl 2-methyl 3-methyl-5-[2-({8-methyl-2,4,5-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-3-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate
| Molecular Formula | C23H22N4O5S2 |
|---|---|
| Molecular Weight | 498.10 g/mol |
| LogP | 4.25494 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.10315 |
| Heavy Atoms | 34 |
| Complexity | 1426.0208 |
Chemical Identifiers
| CAS Number | 342778-69-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C |
Product Overview
AF-399/13909156 (CAS 342778-69-2), with molecular formula C23H22N4O5S2 and molecular weight 498.10 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of AF-399/13909156
Property Insights of AF-399/13909156
The XLogP value of 4.25494 indicates that AF-399/13909156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13909156. Following Lipinski's Rule of Five, AF-399/13909156 has 1 hydrogen bond donor(s) and 9 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-399/13909156?
The CAS number of AF-399/13909156 is 342778-69-2.
What is the molecular formula of AF-399/13909156?
The molecular formula of AF-399/13909156 is C23H22N4O5S2.
What is the molecular weight of AF-399/13909156?
The molecular weight of AF-399/13909156 is 498.10 g/mol.
Where can I buy AF-399/13909156?
You can request a quote for AF-399/13909156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13909156?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13909156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.