2-Benzoylbenzothiazole
TL;DR: 2-Benzoylbenzothiazole (CAS 1629-75-0) is a chemical compound with molecular formula C14H9NOS and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-yl(phenyl)methanone
Also Known As: 2-Benzoylbenzothiazole, 2-benzoyl-1,3-benzothiazole, 1,3-benzothiazol-2-yl(phenyl)methanone, 2-Benzothiazolylphenylmethanone, Phenyl 2-benzothiazolyl ketone
| Molecular Formula | C14H9NOS |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.04048 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 1629-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3S2 |
| InChIKey | HCIZWCSGIMQTDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoylbenzothiazole (CAS 1629-75-0), with molecular formula C14H9NOS and molecular weight 239.04 g/mol. IUPAC: 1,3-benzothiazol-2-yl(phenyl)methanone.
Chemical Property Profile of 2-Benzoylbenzothiazole
Property Insights of 2-Benzoylbenzothiazole
The XLogP value of 4.1 indicates that 2-Benzoylbenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2-Benzoylbenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoylbenzothiazole has 0 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-Benzoylbenzothiazole?
The CAS number of 2-Benzoylbenzothiazole is 1629-75-0.
What is the molecular formula of 2-Benzoylbenzothiazole?
The molecular formula of 2-Benzoylbenzothiazole is C14H9NOS.
What is the molecular weight of 2-Benzoylbenzothiazole?
The molecular weight of 2-Benzoylbenzothiazole is 239.04 g/mol.
Where can I buy 2-Benzoylbenzothiazole?
You can request a quote for 2-Benzoylbenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylbenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylbenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.