3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide
TL;DR: 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide (CAS 19481-75-5) is a chemical compound with molecular formula C19H20F3N3S and molecular weight 379.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
Also Known As: 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide, 1-Pyrrolidinecarboxy-m-toluidide, 3-(N-methylanilino)-(alpha,alpha,alpha-trifluoro)thio-, 3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide, 3-[Methyl(phenyl)amino]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidothioic acid, BRN 0499391
| Molecular Formula | C19H20F3N3S |
|---|---|
| Molecular Weight | 379.13 g/mol |
| LogP | 4.6129 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.133 |
| Heavy Atoms | 26 |
| Complexity | 764.1247 |
Chemical Identifiers
| CAS Number | 19481-75-5 |
|---|---|
| SMILES | CN(C1CCN(C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide (CAS 19481-75-5), with molecular formula C19H20F3N3S and molecular weight 379.13 g/mol. IUPAC: 3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide.
Chemical Property Profile of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide
Property Insights of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide
The XLogP value of 4.6129 indicates that 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide has 1 hydrogen bond donor(s) and 2 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 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide?
The CAS number of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide is 19481-75-5.
What is the molecular formula of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide?
The molecular formula of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide is C19H20F3N3S.
What is the molecular weight of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide?
The molecular weight of 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide is 379.13 g/mol.
Where can I buy 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide?
You can request a quote for 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Methylanilino)-(alpha,alpha,alpha-trifluoro)thio-1-pyrrolidinecarboxy-m-toluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.