(3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate
TL;DR: (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate (CAS 5448-24-8) is a chemical compound with molecular formula C19H27NO7S and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate
Also Known As: (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate, 3,3-Dimethyl-2-oxobutyl N-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)valinate
| Molecular Formula | C19H27NO7S |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 1.9191 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.15082 |
| Heavy Atoms | 28 |
| Complexity | 840.32837 |
Chemical Identifiers
| CAS Number | 5448-24-8 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC(=O)C(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2 |
Product Overview
(3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate (CAS 5448-24-8), with molecular formula C19H27NO7S and molecular weight 413.15 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate.
Chemical Property Profile of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate
Property Insights of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate
The XLogP value of 1.9191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate. Following Lipinski's Rule of Five, (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate has 1 hydrogen bond donor(s) and 7 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 (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate?
The CAS number of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate is 5448-24-8.
What is the molecular formula of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate?
The molecular formula of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate is C19H27NO7S.
What is the molecular weight of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate?
The molecular weight of (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate is 413.15 g/mol.
Where can I buy (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate?
You can request a quote for (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3,3-dimethyl-2-oxobutyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.