A2131/0089476
TL;DR: A2131/0089476 (CAS 298683-76-8) is a chemical compound with molecular formula C21H21F4N3O4S and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
Also Known As: A2131/0089476, ethyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate, ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate, ethyl 2-[(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]-3,3,3-tr ifluoro-2-[(4-fluorophenyl)carbonylamino]propanoate, ethyl 2-{[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
| Molecular Formula | C21H21F4N3O4S |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 3.5285 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.1189 |
| Heavy Atoms | 33 |
| Complexity | 1068.6974 |
Chemical Identifiers
| CAS Number | 298683-76-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)F |
Product Overview
A2131/0089476 (CAS 298683-76-8), with molecular formula C21H21F4N3O4S and molecular weight 487.12 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate.
Chemical Property Profile of A2131/0089476
Property Insights of A2131/0089476
The XLogP value of 3.5285 indicates that A2131/0089476 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A2131/0089476. Following Lipinski's Rule of Five, A2131/0089476 has 3 hydrogen bond donor(s) and 6 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 A2131/0089476?
The CAS number of A2131/0089476 is 298683-76-8.
What is the molecular formula of A2131/0089476?
The molecular formula of A2131/0089476 is C21H21F4N3O4S.
What is the molecular weight of A2131/0089476?
The molecular weight of A2131/0089476 is 487.12 g/mol.
Where can I buy A2131/0089476?
You can request a quote for A2131/0089476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2131/0089476?
Yes, KEHONG BIO provides custom synthesis services for A2131/0089476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.