ChemDiv3_005276
TL;DR: ChemDiv3_005276 (CAS 335424-82-3) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
Also Known As: ChemDiv3_005276, IDI1_023186, BAS 04350610, AB01288431-01, AO-081/41130550
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 2.5454 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 881.4491 |
Chemical Identifiers
| CAS Number | 335424-82-3 |
|---|---|
| SMILES | CN(CC(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_005276 (CAS 335424-82-3), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
Chemical Property Profile of ChemDiv3_005276
Property Insights of ChemDiv3_005276
The XLogP value of 2.5454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005276. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv3_005276 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005276 has 0 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 ChemDiv3_005276?
The CAS number of ChemDiv3_005276 is 335424-82-3.
What is the molecular formula of ChemDiv3_005276?
The molecular formula of ChemDiv3_005276 is C18H19ClN2O3S.
What is the molecular weight of ChemDiv3_005276?
The molecular weight of ChemDiv3_005276 is 378.08 g/mol.
Where can I buy ChemDiv3_005276?
You can request a quote for ChemDiv3_005276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005276?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.