(S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate
TL;DR: (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate (CAS 498535-19-6) is a chemical compound with molecular formula C15H13ClF3N3O3S and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
Also Known As: (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate, 2-(3-Chloro-benzoylamino)-3,3,3-trifluoro-2-(5-methyl-thiazol-2-ylamino)-propionic acid methyl ester, methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate, methyl N-[(3-chlorophenyl)carbonyl]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]alaninate
| Molecular Formula | C15H13ClF3N3O3S |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 3.37842 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.03183 |
| Heavy Atoms | 26 |
| Complexity | 827.7082 |
Chemical Identifiers
| CAS Number | 498535-19-6 |
|---|---|
| SMILES | CC1=CN=C(S1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)Cl |
Product Overview
(S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate (CAS 498535-19-6), with molecular formula C15H13ClF3N3O3S and molecular weight 407.03 g/mol. IUPAC: methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate.
Chemical Property Profile of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate
Property Insights of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate
The XLogP value of 3.37842 indicates that (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate 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 (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate?
The CAS number of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate is 498535-19-6.
What is the molecular formula of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate?
The molecular formula of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate is C15H13ClF3N3O3S.
What is the molecular weight of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate?
The molecular weight of (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate is 407.03 g/mol.
Where can I buy (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate?
You can request a quote for (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-(3-chlorobenzamido)-3,3,3-trifluoro-2-((5-methylthiazol-2-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.