1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
TL;DR: 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide (CAS 1097646-36-0) is a chemical compound with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
Also Known As: BAS 06349720, N-(2-chlorobenzyl)-1-tosylpyrrolidine-2-carboxamide, N-(2-chlorobenzyl)-1-[(4-methylphenyl)sulfonyl]prolinamide, 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide, N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
| Molecular Formula | C19H21ClN2O3S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 3.11792 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09613 |
| Heavy Atoms | 26 |
| Complexity | 897.2552 |
Chemical Identifiers
| CAS Number | 1097646-36-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CC=C3Cl |
Product Overview
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide (CAS 1097646-36-0), with molecular formula C19H21ClN2O3S and molecular weight 392.10 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
Chemical Property Profile of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
Property Insights of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
The XLogP value of 3.11792 indicates that 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide. Following Lipinski's Rule of Five, 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide 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 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide?
The CAS number of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide is 1097646-36-0.
What is the molecular formula of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide?
The molecular formula of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide is C19H21ClN2O3S.
What is the molecular weight of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide?
The molecular weight of 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide is 392.10 g/mol.
Where can I buy 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide?
You can request a quote for 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.