AF-399/40920883
TL;DR: AF-399/40920883 (CAS 379239-71-1) is a chemical compound with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/40920883, F1142-2016, methyl 2-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Methyl 5,6-dihydro-2-[[2-(1,2,4-triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino]-4H-cyclopenta[b]thiophene-3-carboxylate, 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-(1,2,4-triazolo[4,3-a]pyridin-3-ylthio)acetyl]amino]-, methyl ester
| Molecular Formula | C17H16N4O3S2 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 2.7969 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.06638 |
| Heavy Atoms | 26 |
| Complexity | 995.2228 |
Chemical Identifiers
| CAS Number | 379239-71-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
AF-399/40920883 (CAS 379239-71-1), with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol. IUPAC: methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40920883
Property Insights of AF-399/40920883
The XLogP value of 2.7969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40920883. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40920883. Following Lipinski's Rule of Five, AF-399/40920883 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-399/40920883?
The CAS number of AF-399/40920883 is 379239-71-1.
What is the molecular formula of AF-399/40920883?
The molecular formula of AF-399/40920883 is C17H16N4O3S2.
What is the molecular weight of AF-399/40920883?
The molecular weight of AF-399/40920883 is 388.07 g/mol.
Where can I buy AF-399/40920883?
You can request a quote for AF-399/40920883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40920883?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40920883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.