A2131/0089475
TL;DR: A2131/0089475 (CAS 298683-75-7) is a chemical compound with molecular formula C21H21ClF3N3O4S and molecular weight 503.09 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]-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: A2131/0089475, ethyl 2-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-(2-chlorobenzamido)-3,3,3-trifluoropropanoate, ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate, ethyl 2-[(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]-2-[(2-ch lorophenyl)carbonylamino]-3,3,3-trifluoropropanoate, ETHYL 2-[(3-CARBAMOYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-2-[(2-CHLOROPHENYL)FORMAMIDO]-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C21H21ClF3N3O4S |
|---|---|
| Molecular Weight | 503.09 g/mol |
| LogP | 4.0428 |
| Topological Polar Surface Area | 110.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.08932 |
| Heavy Atoms | 33 |
| Complexity | 1089.1925 |
Chemical Identifiers
| CAS Number | 298683-75-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)N)NC(=O)C3=CC=CC=C3Cl |
Product Overview
A2131/0089475 (CAS 298683-75-7), with molecular formula C21H21ClF3N3O4S and molecular weight 503.09 g/mol. IUPAC: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[(2-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of A2131/0089475
Property Insights of A2131/0089475
The XLogP value of 4.0428 indicates that A2131/0089475 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 A2131/0089475. Following Lipinski's Rule of Five, A2131/0089475 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2131/0089475?
The CAS number of A2131/0089475 is 298683-75-7.
What is the molecular formula of A2131/0089475?
The molecular formula of A2131/0089475 is C21H21ClF3N3O4S.
What is the molecular weight of A2131/0089475?
The molecular weight of A2131/0089475 is 503.09 g/mol.
Where can I buy A2131/0089475?
You can request a quote for A2131/0089475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2131/0089475?
Yes, KEHONG BIO provides custom synthesis services for A2131/0089475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.