1-(1,3-Benzothiazol-2-yl)-2-bromoethanone
TL;DR: 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone (CAS 54223-20-0) is a chemical compound with molecular formula C9H6BrNOS and molecular weight 254.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-2-bromoethanone
Also Known As: 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 1-(Benzo[d]thiazol-2-yl)-2-bromoethanone, 1-(1,3-benzothiazol-2-yl)-2-bromoethanone, 2-(Bromoacetyl)benzothiazole, 2-bromoacetylbenzothiazole
| Molecular Formula | C9H6BrNOS |
|---|---|
| Molecular Weight | 254.94 g/mol |
| LogP | 2.8739 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.93535 |
| Heavy Atoms | 13 |
| Complexity | 418.56635 |
Chemical Identifiers
| CAS Number | 54223-20-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=O)CBr |
Product Overview
1-(1,3-Benzothiazol-2-yl)-2-bromoethanone (CAS 54223-20-0), with molecular formula C9H6BrNOS and molecular weight 254.94 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-2-bromoethanone.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone
Property Insights of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone
The XLogP value of 2.8739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone. With a topological polar surface area (TPSA) of 29.96 Ų, 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone 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 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone?
The CAS number of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone is 54223-20-0.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone is C9H6BrNOS.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone is 254.94 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)-2-bromoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.