4,7-Benzothiazoledione, 2-phenyl-
TL;DR: 4,7-Benzothiazoledione, 2-phenyl- (CAS 221541-80-6) is a chemical compound with molecular formula C13H7NO2S and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-benzothiazole-4,7-dione
Also Known As: 2-phenylbenzothiazole-4,7-dione, 4,7-Benzothiazoledione, 2-phenyl-, 4,7-Dioxo-2-phenylbenzothiazole, 2-PHENYL-1,3-BENZOTHIAZOLE-4,7-DIONE, J1.092.757I
| Molecular Formula | C13H7NO2S |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 2.7453 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.01974 |
| Heavy Atoms | 17 |
| Complexity | 605.19403 |
Chemical Identifiers
| CAS Number | 221541-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C(=O)C=CC3=O |
Product Overview
4,7-Benzothiazoledione, 2-phenyl- (CAS 221541-80-6), with molecular formula C13H7NO2S and molecular weight 241.02 g/mol. IUPAC: 2-phenyl-1,3-benzothiazole-4,7-dione.
Chemical Property Profile of 4,7-Benzothiazoledione, 2-phenyl-
Property Insights of 4,7-Benzothiazoledione, 2-phenyl-
The XLogP value of 2.7453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Benzothiazoledione, 2-phenyl-. With a topological polar surface area (TPSA) of 47.03 Ų, 4,7-Benzothiazoledione, 2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Benzothiazoledione, 2-phenyl- has 0 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 4,7-Benzothiazoledione, 2-phenyl-?
The CAS number of 4,7-Benzothiazoledione, 2-phenyl- is 221541-80-6.
What is the molecular formula of 4,7-Benzothiazoledione, 2-phenyl-?
The molecular formula of 4,7-Benzothiazoledione, 2-phenyl- is C13H7NO2S.
What is the molecular weight of 4,7-Benzothiazoledione, 2-phenyl-?
The molecular weight of 4,7-Benzothiazoledione, 2-phenyl- is 241.02 g/mol.
Where can I buy 4,7-Benzothiazoledione, 2-phenyl-?
You can request a quote for 4,7-Benzothiazoledione, 2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Benzothiazoledione, 2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Benzothiazoledione, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.