A2563/0109189
TL;DR: A2563/0109189 (CAS 447430-41-3) is a chemical compound with molecular formula C19H24F3N3O3S and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate
Also Known As: A2563/0109189, ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate, (S)-ethyl 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-pentanamidopropanoate, ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate, ETHYL 2-[(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-PENTANAMIDOPROPANOATE
| Molecular Formula | C19H24F3N3O3S |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 4.03858 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.14905 |
| Heavy Atoms | 29 |
| Complexity | 801.09076 |
Chemical Identifiers
| CAS Number | 447430-41-3 |
|---|---|
| SMILES | CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C#N |
Product Overview
A2563/0109189 (CAS 447430-41-3), with molecular formula C19H24F3N3O3S and molecular weight 431.15 g/mol. IUPAC: ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate.
Chemical Property Profile of A2563/0109189
Property Insights of A2563/0109189
The XLogP value of 4.03858 indicates that A2563/0109189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A2563/0109189. Following Lipinski's Rule of Five, A2563/0109189 has 2 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 A2563/0109189?
The CAS number of A2563/0109189 is 447430-41-3.
What is the molecular formula of A2563/0109189?
The molecular formula of A2563/0109189 is C19H24F3N3O3S.
What is the molecular weight of A2563/0109189?
The molecular weight of A2563/0109189 is 431.15 g/mol.
Where can I buy A2563/0109189?
You can request a quote for A2563/0109189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2563/0109189?
Yes, KEHONG BIO provides custom synthesis services for A2563/0109189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.