2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-
TL;DR: 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- (CAS 99161-62-3) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-4-methyl-3H-1,3-benzothiazol-2-one
Also Known As: 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-, 6-Ethoxy-4-methyl-benzothiazol-2(3H)-one, 6-Ethoxy-4-methylbenzothiazol-2(3H)-one, 6-Ethoxy-4-methyl-1,3-benzothiazol-2(3H)-one, 6-ethoxy-4-methylbenzo[d]thiazol-2(3H)-one
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 2.29672 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 512.30664 |
Chemical Identifiers
| CAS Number | 99161-62-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C(=C1)C)NC(=O)S2 |
Product Overview
2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- (CAS 99161-62-3), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 6-ethoxy-4-methyl-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-
Property Insights of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-
The XLogP value of 2.29672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-. With a topological polar surface area (TPSA) of 42.09 Ų, 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 6-ethoxy-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-ethoxy-4-methyl-?
The CAS number of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- is 99161-62-3.
What is the molecular formula of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-?
The molecular formula of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- is C10H11NO2S.
What is the molecular weight of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-?
The molecular weight of 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- is 209.05 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-?
You can request a quote for 2(3H)-Benzothiazolone, 6-ethoxy-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-ethoxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 6-ethoxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.