2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-
TL;DR: 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- (CAS 33354-22-2) is a chemical compound with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
Also Known As: 2-BENZOTHIAZOLINONE, 5-CHLORO-3-(4-METHYLPIPERAZIN-1-YL)CARBONYLMETHYL-, 5-Chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-2-benzothiazolinone, 5-chloro-3-[[carbonyl]methyl]benzothiazol-2 -one, 5-Chloro-3-[[ carbonyl]methyl]benzothiazol-2 -one, 5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
| Molecular Formula | C14H16ClN3O2S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.0652 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 33354-22-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O |
| InChIKey | YODVPSXHHYUKSG-UHFFFAOYSA-N |
Product Overview
2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- (CAS 33354-22-2), with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol. IUPAC: 5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-
Property Insights of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-. Following Lipinski's Rule of Five, 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- has 0 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 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-?
The CAS number of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- is 33354-22-2.
What is the molecular formula of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-?
The molecular formula of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- is C14H16ClN3O2S.
What is the molecular weight of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-?
The molecular weight of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- is 325.07 g/mol.
Where can I buy 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-?
You can request a quote for 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.