4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 303016-16-2) is a chemical compound with molecular formula C11H12BrNO3S and molecular weight 316.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: ChemDiv1_020661, 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, 4-bromo-N-(1,1-dioxothiolan-3-yl)benzamide, BAS 01150733, BIM-0003353.P001
| Molecular Formula | C11H12BrNO3S |
|---|---|
| Molecular Weight | 316.97 g/mol |
| LogP | 1.366 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.97214 |
| Heavy Atoms | 17 |
| Complexity | 524.15247 |
Chemical Identifiers
| CAS Number | 303016-16-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=CC=C(C=C2)Br |
Product Overview
4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 303016-16-2), with molecular formula C11H12BrNO3S and molecular weight 316.97 g/mol. IUPAC: 4-bromo-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 1.366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide. Following Lipinski's Rule of Five, 4-bromo-N-(1,1-dioxidotetrahydrothiophen-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 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 303016-16-2.
What is the molecular formula of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C11H12BrNO3S.
What is the molecular weight of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 316.97 g/mol.
Where can I buy 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-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 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.