3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide
TL;DR: 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide (CAS 956360-84-2) is a chemical compound with molecular formula C11H10BrNO2S and molecular weight 298.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 3-bromo-N-(2-oxothiolan-3-yl)benzamide, BAS 01936994, 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide, 3-Bromo-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide, (3-bromophenyl)-N-(2-oxo(3-3,4,5-trihydrothienyl))carboxamide
| Molecular Formula | C11H10BrNO2S |
|---|---|
| Molecular Weight | 298.96 g/mol |
| LogP | 2.211 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.96155 |
| Heavy Atoms | 16 |
| Complexity | 435.74768 |
Chemical Identifiers
| CAS Number | 956360-84-2 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)C2=CC(=CC=C2)Br |
Product Overview
3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide (CAS 956360-84-2), with molecular formula C11H10BrNO2S and molecular weight 298.96 g/mol. IUPAC: 3-bromo-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide
Property Insights of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide
The XLogP value of 2.211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide. With a topological polar surface area (TPSA) of 46.17 Ų, 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide has 1 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 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The CAS number of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide is 956360-84-2.
What is the molecular formula of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide is C11H10BrNO2S.
What is the molecular weight of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide is 298.96 g/mol.
Where can I buy 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(2-oxotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.