Benzoic acid, 4-(2-methyl-1-oxopropoxy)-
TL;DR: Benzoic acid, 4-(2-methyl-1-oxopropoxy)- (CAS 17459-72-2) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropanoyloxy)benzoic acid
Also Known As: Benzoic acid, 4-(2-methyl-1-oxopropoxy)-, 4-(Isobutyryloxy)benzoic acid, 4-(2-methylpropanoyloxy)benzoic Acid, p-carboxyphenyl 2-methylpropionate, 4-[(2-METHYLPROPANOYL)OXY]BENZOIC ACID
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.9462 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 364.67923 |
Chemical Identifiers
| CAS Number | 17459-72-2 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC=C(C=C1)C(=O)O |
Product Overview
Benzoic acid, 4-(2-methyl-1-oxopropoxy)- (CAS 17459-72-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 4-(2-methylpropanoyloxy)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(2-methyl-1-oxopropoxy)-
Property Insights of Benzoic acid, 4-(2-methyl-1-oxopropoxy)-
The XLogP value of 1.9462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2-methyl-1-oxopropoxy)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-methyl-1-oxopropoxy)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-methyl-1-oxopropoxy)- has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-(2-methyl-1-oxopropoxy)-?
The CAS number of Benzoic acid, 4-(2-methyl-1-oxopropoxy)- is 17459-72-2.
What is the molecular formula of Benzoic acid, 4-(2-methyl-1-oxopropoxy)-?
The molecular formula of Benzoic acid, 4-(2-methyl-1-oxopropoxy)- is C11H12O4.
What is the molecular weight of Benzoic acid, 4-(2-methyl-1-oxopropoxy)-?
The molecular weight of Benzoic acid, 4-(2-methyl-1-oxopropoxy)- is 208.07 g/mol.
Where can I buy Benzoic acid, 4-(2-methyl-1-oxopropoxy)-?
You can request a quote for Benzoic acid, 4-(2-methyl-1-oxopropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(2-methyl-1-oxopropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-methyl-1-oxopropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.