2(3H)-Benzothiazolone, 4-chloro-3-ethyl-
TL;DR: 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- (CAS 63755-06-6) is a chemical compound with molecular formula C9H8ClNOS and molecular weight 213.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-ethyl-1,3-benzothiazol-2-one
Also Known As: 4-chloro-3-ethyl-1,3-benzothiazol-2-one, 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-, CL 1702, 4-Chloro-3-ethyl-1,3-benzothiazol-2(3H)-one, 4-chloro-3-ethyl-3-hydrobenzothiazol-2-one
| Molecular Formula | C9H8ClNOS |
|---|---|
| Molecular Weight | 213.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.00151 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 63755-06-6 |
|---|---|
| SMILES | CCN1C2=C(C=CC=C2Cl)SC1=O |
| InChIKey | LDELBJIBUBHFQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzothiazolone, 4-chloro-3-ethyl- (CAS 63755-06-6), with molecular formula C9H8ClNOS and molecular weight 213.00 g/mol. IUPAC: 4-chloro-3-ethyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-
Property Insights of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-. With a topological polar surface area (TPSA) of 45.6 Ų, 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- has 0 hydrogen bond donor(s) and 2 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(3H)-Benzothiazolone, 4-chloro-3-ethyl-?
The CAS number of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- is 63755-06-6.
What is the molecular formula of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-?
The molecular formula of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- is C9H8ClNOS.
What is the molecular weight of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-?
The molecular weight of 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- is 213.00 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-?
You can request a quote for 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolone, 4-chloro-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 4-chloro-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.