A2167/0091007
TL;DR: A2167/0091007 (CAS 298683-85-9) is a chemical compound with molecular formula C20H20F3N3O4S2 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonamido)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: A2167/0091007, ethyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(phenylsulfonamido)propanoate, ethyl 2-(benzenesulfonamido)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate, ethyl 2-[(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]-3,3,3-triflu oro-2-[(phenylsulfonyl)amino]propanoate, ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-N-(phenylsulfonyl)alaninate
| Molecular Formula | C20H20F3N3O4S2 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 3.71068 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.08475 |
| Heavy Atoms | 32 |
| Complexity | 1141.3203 |
Chemical Identifiers
| CAS Number | 298683-85-9 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NS(=O)(=O)C3=CC=CC=C3 |
Product Overview
A2167/0091007 (CAS 298683-85-9), with molecular formula C20H20F3N3O4S2 and molecular weight 487.08 g/mol. IUPAC: ethyl 2-(benzenesulfonamido)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of A2167/0091007
Property Insights of A2167/0091007
The XLogP value of 3.71068 indicates that A2167/0091007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for A2167/0091007. Following Lipinski's Rule of Five, A2167/0091007 has 2 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 A2167/0091007?
The CAS number of A2167/0091007 is 298683-85-9.
What is the molecular formula of A2167/0091007?
The molecular formula of A2167/0091007 is C20H20F3N3O4S2.
What is the molecular weight of A2167/0091007?
The molecular weight of A2167/0091007 is 487.08 g/mol.
Where can I buy A2167/0091007?
You can request a quote for A2167/0091007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2167/0091007?
Yes, KEHONG BIO provides custom synthesis services for A2167/0091007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.