ChemDiv3_005880
TL;DR: ChemDiv3_005880 (CAS 517868-58-5) is a chemical compound with molecular formula C22H22ClN3O2S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv3_005880, IDI1_023790, AJ-292/42151552, BRD-K26639275-001-01-6, 6-chloro-3-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4-phenylquinolin-2(1H)-one
| Molecular Formula | C22H22ClN3O2S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 3.7146 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.11212 |
| Heavy Atoms | 29 |
| Complexity | 1092.4028 |
Chemical Identifiers
| CAS Number | 517868-58-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4 |
Product Overview
ChemDiv3_005880 (CAS 517868-58-5), with molecular formula C22H22ClN3O2S and molecular weight 427.11 g/mol. IUPAC: 6-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv3_005880
Property Insights of ChemDiv3_005880
The XLogP value of 3.7146 indicates that ChemDiv3_005880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, ChemDiv3_005880 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005880 has 1 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 ChemDiv3_005880?
The CAS number of ChemDiv3_005880 is 517868-58-5.
What is the molecular formula of ChemDiv3_005880?
The molecular formula of ChemDiv3_005880 is C22H22ClN3O2S.
What is the molecular weight of ChemDiv3_005880?
The molecular weight of ChemDiv3_005880 is 427.11 g/mol.
Where can I buy ChemDiv3_005880?
You can request a quote for ChemDiv3_005880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005880?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.