(3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate
TL;DR: (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate (CAS 516467-59-7) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 4-benzamidobenzoate
Also Known As: (3,3-dimethyl-2-oxobutyl) 4-benzamidobenzoate, 3,3-dimethyl-2-oxobutyl 4-(benzoylamino)benzoate, 3,3-DIMETHYL-2-OXOBUTYL 4-BENZAMIDOBENZOATE, 3,3-dimethyl-2-oxobutyl 4-(phenylcarbonylamino)benzoate
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.7109 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 758.5332 |
Chemical Identifiers
| CAS Number | 516467-59-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2 |
Product Overview
(3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate (CAS 516467-59-7), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 4-benzamidobenzoate.
Chemical Property Profile of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate
Property Insights of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate
The XLogP value of 3.7109 indicates that (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate. Following Lipinski's Rule of Five, (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate 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-benzamidobenzoate?
The CAS number of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate is 516467-59-7.
What is the molecular formula of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate?
The molecular formula of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate is C20H21NO4.
What is the molecular weight of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate?
The molecular weight of (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate is 339.15 g/mol.
Where can I buy (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate?
You can request a quote for (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate 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-benzamidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethyl-2-oxobutyl) 4-benzamidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.