3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid
TL;DR: 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid (CAS 66410-82-0) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
Also Known As: EINECS 266-352-4, 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid, 8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid, 3,4-dihydro-8-[ sulphonyl]-2H-benzo-1,5-dioxepin-6-carboxylicacid, 3,4-dihydro-8-[sulphonyl]-2h-benzo-1,5-dioxepin-6-carboxylicacid
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 0.4542 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 609.85657 |
Chemical Identifiers
| CAS Number | 66410-82-0 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC(=C2C(=C1)OCCCO2)C(=O)O |
Product Overview
3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid (CAS 66410-82-0), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: 8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid
Property Insights of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid
The XLogP value of 0.4542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid?
The CAS number of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid is 66410-82-0.
What is the molecular formula of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid?
The molecular formula of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid is C11H13NO6S.
What is the molecular weight of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid?
The molecular weight of 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid is 287.05 g/mol.
Where can I buy 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid?
You can request a quote for 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.