2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
TL;DR: 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CAS 342780-87-4) is a chemical compound with molecular formula C13H16BrNO4S and molecular weight 361.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
Also Known As: ChemDiv2_003540, IFLab1_003847, IDI1_002255, IDI1_009954, AF-399/15103005
| Molecular Formula | C13H16BrNO4S |
|---|---|
| Molecular Weight | 361.00 g/mol |
| LogP | 1.4734 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.99835 |
| Heavy Atoms | 20 |
| Complexity | 602.1437 |
Chemical Identifiers
| CAS Number | 342780-87-4 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC(=CC=C2)Br |
Product Overview
2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CAS 342780-87-4), with molecular formula C13H16BrNO4S and molecular weight 361.00 g/mol. IUPAC: 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
Chemical Property Profile of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
Property Insights of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
The XLogP value of 1.4734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide. Following Lipinski's Rule of Five, 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide 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 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The CAS number of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is 342780-87-4.
What is the molecular formula of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The molecular formula of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is C13H16BrNO4S.
What is the molecular weight of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The molecular weight of 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is 361.00 g/mol.
Where can I buy 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
You can request a quote for 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.