2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-
TL;DR: 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- (CAS 167905-63-7) is a chemical compound with molecular formula C15H11NO2S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methylbenzoyl)-3H-1,3-benzothiazol-2-one
Also Known As: 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-, 6-Benzoyl-benzothiazolin-2-one der., 6-(3-methylbenzoyl)-3H-1,3-benzothiazol-2-one, 6-(3-Methylbenzoyl)-1,3-benzothiazol-2(3H)-one, 6-[(3-Methylphenyl)carbonyl]-3-hydrobenzothiazol-2-one
| Molecular Formula | C15H11NO2S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.05106 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 167905-63-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)NC(=O)S3 |
| InChIKey | PONPNOINMMBWOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- (CAS 167905-63-7), with molecular formula C15H11NO2S and molecular weight 269.05 g/mol. IUPAC: 6-(3-methylbenzoyl)-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-
Property Insights of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-
The XLogP value of 3.4 indicates that 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- 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-(3-methylbenzoyl)-?
The CAS number of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- is 167905-63-7.
What is the molecular formula of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-?
The molecular formula of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- is C15H11NO2S.
What is the molecular weight of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-?
The molecular weight of 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- is 269.05 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)-?
You can request a quote for 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- 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-(3-methylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 6-(3-methylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.