![2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid structure](/static/products/1396/1396965-93-7.webp)
2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid
TL;DR: 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid (CAS 1396965-93-7) is a chemical compound with molecular formula C13H17NO6S and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid
Also Known As: 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid, BAS 05992979, 2-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)-3-methylbutanoic acid, 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid, 2-(2,3-Dihydrobenzo[b][1,4]dioxine-6-sulfonamido)-3-methylbutanoic acid
| Molecular Formula | C13H17NO6S |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 0.8453 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.07767 |
| Heavy Atoms | 21 |
| Complexity | 640.0616 |
Chemical Identifiers
| CAS Number | 1396965-93-7 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2 |
Product Overview
2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid (CAS 1396965-93-7), with molecular formula C13H17NO6S and molecular weight 315.08 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid.
Chemical Property Profile of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid
Property Insights of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid
The XLogP value of 0.8453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric 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 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid?
The CAS number of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid is 1396965-93-7.
What is the molecular formula of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid?
The molecular formula of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid is C13H17NO6S.
What is the molecular weight of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid?
The molecular weight of 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid is 315.08 g/mol.
Where can I buy 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid?
You can request a quote for 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-3-methyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.