3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate
TL;DR: 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate (CAS 516467-62-2) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 4-(propanoylamino)benzoate
Also Known As: 3,3-dimethyl-2-oxobutyl 4-(propionylamino)benzoate, (3,3-dimethyl-2-oxobutyl) 4-(propanoylamino)benzoate, 3,3-dimethyl-2-oxobutyl 4-(propanoylamino)benzoate, 3,3-dimethyl-2-oxobutyl 4-propionamidobenzoate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.8071 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 526.2031 |
Chemical Identifiers
| CAS Number | 516467-62-2 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C(C)(C)C |
Product Overview
3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate (CAS 516467-62-2), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 4-(propanoylamino)benzoate.
Chemical Property Profile of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate
Property Insights of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate
The XLogP value of 2.8071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate has 1 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 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate?
The CAS number of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate is 516467-62-2.
What is the molecular formula of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate?
The molecular formula of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate is C16H21NO4.
What is the molecular weight of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate?
The molecular weight of 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate is 291.15 g/mol.
Where can I buy 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate?
You can request a quote for 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate 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 4-(propionylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxobutyl 4-(propionylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.