2(3H)-Benzothiazolone, 5-chloro-6-methoxy-
TL;DR: 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- (CAS 80689-15-2) is a chemical compound with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6-methoxy-3H-1,3-benzothiazol-2-one
Also Known As: 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-, 5-Chloro-6-methoxy-2(3H)-benzothiazolone, 5-Chlor-2,3-dihydro-6-methoxy-2-oxo-benzothiazol, 2 -Benzothiazolone,5-chloro-6-methoxy-, 5-Chlor-2,3-dihydro-6-methoxy-2-oxo-benzothiazol [German]
| Molecular Formula | C8H6ClNO2S |
|---|---|
| Molecular Weight | 214.98 g/mol |
| LogP | 2.2516 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.98077 |
| Heavy Atoms | 13 |
| Complexity | 502.3036 |
Chemical Identifiers
| CAS Number | 80689-15-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)SC(=O)N2)Cl |
Product Overview
2(3H)-Benzothiazolone, 5-chloro-6-methoxy- (CAS 80689-15-2), with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol. IUPAC: 5-chloro-6-methoxy-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-
Property Insights of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-
The XLogP value of 2.2516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-. With a topological polar surface area (TPSA) of 42.09 Ų, 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- has 1 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 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-?
The CAS number of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- is 80689-15-2.
What is the molecular formula of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-?
The molecular formula of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- is C8H6ClNO2S.
What is the molecular weight of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-?
The molecular weight of 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- is 214.98 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 5-chloro-6-methoxy-?
You can request a quote for 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- 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, 5-chloro-6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 5-chloro-6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.