starbld0001780
TL;DR: starbld0001780 (CAS 438596-96-4) is a chemical compound with molecular formula C16H12ClF3N2O3S and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0001780, 2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, {[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C16H12ClF3N2O3S |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 4.2712 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.02094 |
| Heavy Atoms | 26 |
| Complexity | 830.62756 |
Chemical Identifiers
| CAS Number | 438596-96-4 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F |
Product Overview
starbld0001780 (CAS 438596-96-4), with molecular formula C16H12ClF3N2O3S and molecular weight 404.02 g/mol. IUPAC: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of starbld0001780
Property Insights of starbld0001780
The XLogP value of 4.2712 indicates that starbld0001780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0001780. Following Lipinski's Rule of Five, starbld0001780 has 1 hydrogen bond donor(s) and 5 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 starbld0001780?
The CAS number of starbld0001780 is 438596-96-4.
What is the molecular formula of starbld0001780?
The molecular formula of starbld0001780 is C16H12ClF3N2O3S.
What is the molecular weight of starbld0001780?
The molecular weight of starbld0001780 is 404.02 g/mol.
Where can I buy starbld0001780?
You can request a quote for starbld0001780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0001780?
Yes, KEHONG BIO provides custom synthesis services for starbld0001780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.