2(3H)-Benzothiazolone, 6-methoxy-4-methyl-
TL;DR: 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- (CAS 80689-16-3) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one
Also Known As: 6-Methoxy-4-methyl-2(3H)-benzothiazolone, 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-, 6-methoxy-4-methylbenzo[d]thiazol-2(3H)-one, 6-Methoxy-4-methyl-2(3H)-benzothiazolon, 6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.90662 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 497.7743 |
Chemical Identifiers
| CAS Number | 80689-16-3 |
|---|---|
| SMILES | CC1=CC(=CC2=C1NC(=O)S2)OC |
Product Overview
2(3H)-Benzothiazolone, 6-methoxy-4-methyl- (CAS 80689-16-3), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 6-methoxy-4-methyl-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-
Property Insights of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-
The XLogP value of 1.90662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-. With a topological polar surface area (TPSA) of 42.09 Ų, 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- 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, 6-methoxy-4-methyl-?
The CAS number of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- is 80689-16-3.
What is the molecular formula of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-?
The molecular formula of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- is C9H9NO2S.
What is the molecular weight of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-?
The molecular weight of 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- is 195.04 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 6-methoxy-4-methyl-?
You can request a quote for 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- 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, 6-methoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 6-methoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.