AF-399/40851774
TL;DR: AF-399/40851774 (CAS 683780-07-6) is a chemical compound with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
Also Known As: AF-399/40851774, F1174-3178, ethyl 5'-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-[2,3'-bithiophene]-4'-carboxylate, ethyl 5'-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-[2,3'-bithiophene]-4'-carboxylate, ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
| Molecular Formula | C21H16N2O5S2 |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 3.888 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.05005 |
| Heavy Atoms | 30 |
| Complexity | 1115.1206 |
Chemical Identifiers
| CAS Number | 683780-07-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AF-399/40851774 (CAS 683780-07-6), with molecular formula C21H16N2O5S2 and molecular weight 440.05 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851774
Property Insights of AF-399/40851774
The XLogP value of 3.888 indicates that AF-399/40851774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851774. Following Lipinski's Rule of Five, AF-399/40851774 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-399/40851774?
The CAS number of AF-399/40851774 is 683780-07-6.
What is the molecular formula of AF-399/40851774?
The molecular formula of AF-399/40851774 is C21H16N2O5S2.
What is the molecular weight of AF-399/40851774?
The molecular weight of AF-399/40851774 is 440.05 g/mol.
Where can I buy AF-399/40851774?
You can request a quote for AF-399/40851774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851774?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.