ChemDiv2_002667
TL;DR: ChemDiv2_002667 (CAS 695213-05-9) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
Also Known As: ChemDiv2_002667, A3355/0142384, 1-[4-({[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino}sulfonyl)phenyl]pyrrolidin -2-one, N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.4097 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 1122.4807 |
Chemical Identifiers
| CAS Number | 695213-05-9 |
|---|---|
| SMILES | CN1C=NN=C1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O |
Product Overview
ChemDiv2_002667 (CAS 695213-05-9), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv2_002667
Property Insights of ChemDiv2_002667
The XLogP value of 2.4097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002667. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002667. Following Lipinski's Rule of Five, ChemDiv2_002667 has 1 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 ChemDiv2_002667?
The CAS number of ChemDiv2_002667 is 695213-05-9.
What is the molecular formula of ChemDiv2_002667?
The molecular formula of ChemDiv2_002667 is C19H19N5O3S.
What is the molecular weight of ChemDiv2_002667?
The molecular weight of ChemDiv2_002667 is 397.12 g/mol.
Where can I buy ChemDiv2_002667?
You can request a quote for ChemDiv2_002667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002667?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.