RefChem:235220
TL;DR: RefChem:235220 (CAS 23856-23-7) is a chemical compound with molecular formula C19H21ClF3N3O and molecular weight 399.13 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-carboxamide;hydrochloride
Also Known As: 3-(N-Methylanilino)-alpha,alpha,alpha-trifluoro-1-pyrrolidinecarboxy-m-toluidide hydrochloride, 1-Pyrrolidinecarboxy-m-toluidide, 3-(N-methylanilino)-alpha,alpha,alpha-trifluoro-, monohydrochloride, 3-[methyl(phenyl)amino]-n-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide hydrochloride(1:1), 3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide hydrochloride, 3-[Methyl(phenyl)amino]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboximidic acid--hydrogen chloride (1/1)
| Molecular Formula | C19H21ClF3N3O |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.8698 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.13254 |
| Heavy Atoms | 27 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 23856-23-7 |
|---|---|
| SMILES | CN(C1CCN(C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3.Cl |
| InChIKey | WXDWQVSCGSZVAX-UHFFFAOYSA-N |
Product Overview
RefChem:235220 (CAS 23856-23-7), with molecular formula C19H21ClF3N3O and molecular weight 399.13 g/mol. IUPAC: 3-(N-methylanilino)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide;hydrochloride.
Chemical Property Profile of RefChem:235220
Property Insights of RefChem:235220
The XLogP value of 4.8698 indicates that RefChem:235220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:235220 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235220 has 2 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 RefChem:235220?
The CAS number of RefChem:235220 is 23856-23-7.
What is the molecular formula of RefChem:235220?
The molecular formula of RefChem:235220 is C19H21ClF3N3O.
What is the molecular weight of RefChem:235220?
The molecular weight of RefChem:235220 is 399.13 g/mol.
Where can I buy RefChem:235220?
You can request a quote for RefChem:235220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235220?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.