ChemDiv3_006072
TL;DR: ChemDiv3_006072 (CAS 678546-99-1) is a chemical compound with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: ChemDiv3_006072, IDI1_023982, VU0049436-5, 2-(2-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
| Molecular Formula | C19H18ClN3O4S |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 1.8333 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.07065 |
| Heavy Atoms | 28 |
| Complexity | 1048.6492 |
Chemical Identifiers
| CAS Number | 678546-99-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
ChemDiv3_006072 (CAS 678546-99-1), with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol. IUPAC: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of ChemDiv3_006072
Property Insights of ChemDiv3_006072
The XLogP value of 1.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006072. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006072. Following Lipinski's Rule of Five, ChemDiv3_006072 has 0 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 ChemDiv3_006072?
The CAS number of ChemDiv3_006072 is 678546-99-1.
What is the molecular formula of ChemDiv3_006072?
The molecular formula of ChemDiv3_006072 is C19H18ClN3O4S.
What is the molecular weight of ChemDiv3_006072?
The molecular weight of ChemDiv3_006072 is 419.07 g/mol.
Where can I buy ChemDiv3_006072?
You can request a quote for ChemDiv3_006072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006072?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.