BAS 01058399
TL;DR: BAS 01058399 (CAS 351987-16-1) is a chemical compound with molecular formula C14H13ClF3N3OS and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
Also Known As: BAS 01058399, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(methylsulfanyl)phenyl]acetamide, 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-N-(2-methylthiophenyl)aceta mide, 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(2-(methylthio)phenyl)acetamide
| Molecular Formula | C14H13ClF3N3OS |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 4.22432 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.042 |
| Heavy Atoms | 23 |
| Complexity | 730.54297 |
Chemical Identifiers
| CAS Number | 351987-16-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2SC)C(F)(F)F)Cl |
Product Overview
BAS 01058399 (CAS 351987-16-1), with molecular formula C14H13ClF3N3OS and molecular weight 363.04 g/mol. IUPAC: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
Chemical Property Profile of BAS 01058399
Property Insights of BAS 01058399
The XLogP value of 4.22432 indicates that BAS 01058399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, BAS 01058399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058399 has 1 hydrogen bond donor(s) and 3 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 BAS 01058399?
The CAS number of BAS 01058399 is 351987-16-1.
What is the molecular formula of BAS 01058399?
The molecular formula of BAS 01058399 is C14H13ClF3N3OS.
What is the molecular weight of BAS 01058399?
The molecular weight of BAS 01058399 is 363.04 g/mol.
Where can I buy BAS 01058399?
You can request a quote for BAS 01058399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058399?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.