AF-399/40851369
TL;DR: AF-399/40851369 (CAS 379238-34-3) is a chemical compound with molecular formula C22H18N2O3S3 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
Also Known As: AF-399/40851369, methyl 2-[2-(4-methyl(2-quinolylthio))acetylamino]-4-(2-thienyl)thiophene-3-ca rboxylate, methyl 2-({[(4-methyl-2-quinolinyl)sulfanyl]acetyl}amino)-2',4-bithiophene-3-carboxylate, methyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
| Molecular Formula | C22H18N2O3S3 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 5.85062 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.04794 |
| Heavy Atoms | 30 |
| Complexity | 1215.8337 |
Chemical Identifiers
| CAS Number | 379238-34-3 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C(=CS3)C4=CC=CS4)C(=O)OC |
Product Overview
AF-399/40851369 (CAS 379238-34-3), with molecular formula C22H18N2O3S3 and molecular weight 454.05 g/mol. IUPAC: methyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851369
Property Insights of AF-399/40851369
The XLogP value of 5.85062 indicates that AF-399/40851369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851369. Following Lipinski's Rule of Five, AF-399/40851369 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851369?
The CAS number of AF-399/40851369 is 379238-34-3.
What is the molecular formula of AF-399/40851369?
The molecular formula of AF-399/40851369 is C22H18N2O3S3.
What is the molecular weight of AF-399/40851369?
The molecular weight of AF-399/40851369 is 454.05 g/mol.
Where can I buy AF-399/40851369?
You can request a quote for AF-399/40851369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851369?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.