Benzothiazole, 5-acetyl-2-phenyl-
TL;DR: Benzothiazole, 5-acetyl-2-phenyl- (CAS 37554-60-2) is a chemical compound with molecular formula C15H11NOS and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenyl-1,3-benzothiazol-5-yl)ethanone
Also Known As: 2-Phenyl-5-acetylbenzothiazole, 5-Acetyl-2-phenylbenzothiazole, BENZOTHIAZOLE, 5-ACETYL-2-PHENYL-, Ethanone, 1-(2-phenyl-5-benzothiazolyl)-, Ethanone,1-(2-phenyl-5-benzothiazolyl)
| Molecular Formula | C15H11NOS |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05614 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 37554-60-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)SC(=N2)C3=CC=CC=C3 |
| InChIKey | VMFVHQCMVQSENS-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 5-acetyl-2-phenyl- (CAS 37554-60-2), with molecular formula C15H11NOS and molecular weight 253.06 g/mol. IUPAC: 1-(2-phenyl-1,3-benzothiazol-5-yl)ethanone.
Chemical Property Profile of Benzothiazole, 5-acetyl-2-phenyl-
Property Insights of Benzothiazole, 5-acetyl-2-phenyl-
The XLogP value of 3.9 indicates that Benzothiazole, 5-acetyl-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, Benzothiazole, 5-acetyl-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 5-acetyl-2-phenyl- 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 Benzothiazole, 5-acetyl-2-phenyl-?
The CAS number of Benzothiazole, 5-acetyl-2-phenyl- is 37554-60-2.
What is the molecular formula of Benzothiazole, 5-acetyl-2-phenyl-?
The molecular formula of Benzothiazole, 5-acetyl-2-phenyl- is C15H11NOS.
What is the molecular weight of Benzothiazole, 5-acetyl-2-phenyl-?
The molecular weight of Benzothiazole, 5-acetyl-2-phenyl- is 253.06 g/mol.
Where can I buy Benzothiazole, 5-acetyl-2-phenyl-?
You can request a quote for Benzothiazole, 5-acetyl-2-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 5-acetyl-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.