AF-399/40920999
TL;DR: AF-399/40920999 (CAS 379239-72-2) is a chemical compound with molecular formula C18H18N4O3S2 and molecular weight 402.08 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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/40920999, F1143-0175, methyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18N4O3S2 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 3.187 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08203 |
| Heavy Atoms | 27 |
| Complexity | 1011.3732 |
Chemical Identifiers
| CAS Number | 379239-72-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
AF-399/40920999 (CAS 379239-72-2), with molecular formula C18H18N4O3S2 and molecular weight 402.08 g/mol. IUPAC: methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/40920999
Property Insights of AF-399/40920999
The XLogP value of 3.187 indicates that AF-399/40920999 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-399/40920999. Following Lipinski's Rule of Five, AF-399/40920999 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-399/40920999?
The CAS number of AF-399/40920999 is 379239-72-2.
What is the molecular formula of AF-399/40920999?
The molecular formula of AF-399/40920999 is C18H18N4O3S2.
What is the molecular weight of AF-399/40920999?
The molecular weight of AF-399/40920999 is 402.08 g/mol.
Where can I buy AF-399/40920999?
You can request a quote for AF-399/40920999 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40920999?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40920999 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.