ChemDiv2_005195
TL;DR: ChemDiv2_005195 (CAS 1042692-90-9) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
Also Known As: ChemDiv2_005195, IDI1_003910, A3445/0146288, N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(4-methylphenyl)sulfonyl]prolinamide, N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.38332 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 1089.2936 |
Chemical Identifiers
| CAS Number | 1042692-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCC3=NC4=CC=CC=C4N3 |
Product Overview
ChemDiv2_005195 (CAS 1042692-90-9), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
Chemical Property Profile of ChemDiv2_005195
Property Insights of ChemDiv2_005195
The XLogP value of 2.38332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005195. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005195. Following Lipinski's Rule of Five, ChemDiv2_005195 has 2 hydrogen bond donor(s) and 4 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 ChemDiv2_005195?
The CAS number of ChemDiv2_005195 is 1042692-90-9.
What is the molecular formula of ChemDiv2_005195?
The molecular formula of ChemDiv2_005195 is C21H24N4O3S.
What is the molecular weight of ChemDiv2_005195?
The molecular weight of ChemDiv2_005195 is 412.16 g/mol.
Where can I buy ChemDiv2_005195?
You can request a quote for ChemDiv2_005195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005195?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.