AF-399/40920965
TL;DR: AF-399/40920965 (CAS 442865-35-2) is a chemical compound with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/40920965, F1174-1054, methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 2-[2-({5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H22N4O3S2 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 4.64862 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.11334 |
| Heavy Atoms | 32 |
| Complexity | 1358.5375 |
Chemical Identifiers
| CAS Number | 442865-35-2 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC |
Product Overview
AF-399/40920965 (CAS 442865-35-2), with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol. IUPAC: methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/40920965
Property Insights of AF-399/40920965
The XLogP value of 4.64862 indicates that AF-399/40920965 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-399/40920965. Following Lipinski's Rule of Five, AF-399/40920965 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-399/40920965?
The CAS number of AF-399/40920965 is 442865-35-2.
What is the molecular formula of AF-399/40920965?
The molecular formula of AF-399/40920965 is C23H22N4O3S2.
What is the molecular weight of AF-399/40920965?
The molecular weight of AF-399/40920965 is 466.11 g/mol.
Where can I buy AF-399/40920965?
You can request a quote for AF-399/40920965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40920965?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40920965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.