Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-
TL;DR: Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- (CAS 49702-22-9) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-acetyl-1,3-benzothiazol-2-yl)benzamide
Also Known As: 4- BENZAMIDE, Benzamide, p-(5-acetyl-2-benzothiazolyl)-, 2-(4-Carbamoylphenyl)-5-acetylbenzothiazole, 4-(5-acetyl-1,3-benzothiazol-2-yl)benzamide, 5-Benzothiazoleacetic acid,2-pyridyl
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 49702-22-9 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)C(=O)N |
| InChIKey | BQNBYMWITANTPB-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- (CAS 49702-22-9), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 4-(5-acetyl-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-
Property Insights of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-. Following Lipinski's Rule of Five, Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- has 1 hydrogen bond donor(s) and 4 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 Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-?
The CAS number of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- is 49702-22-9.
What is the molecular formula of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-?
The molecular formula of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- is C16H12N2O2S.
What is the molecular weight of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-?
The molecular weight of Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- is 296.06 g/mol.
Where can I buy Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-?
You can request a quote for Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 5-acetyl-2-(4-carbamoylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.