Benzoic acid, 2-(1-oxopropoxy)-, methyl ester
TL;DR: Benzoic acid, 2-(1-oxopropoxy)-, methyl ester (CAS 40523-60-2) 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.
methyl 2-propanoyloxybenzoate
Also Known As: methyl 2-propanoyloxybenzoate, methyl propionylsalicylate, methyl 2-(propionyloxy)benzoate, Benzoic acid, 2-(1-oxopropoxy)-, methyl ester, METHYL 2-(PROPANOYLOXY)BENZOATE
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7886 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 370.6056 |
Chemical Identifiers
| CAS Number | 40523-60-2 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC=C1C(=O)OC |
Product Overview
Benzoic acid, 2-(1-oxopropoxy)-, methyl ester (CAS 40523-60-2), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 2-propanoyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester
Property Insights of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester
The XLogP value of 1.7886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(1-oxopropoxy)-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 2-(1-oxopropoxy)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(1-oxopropoxy)-, methyl ester has 0 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 Benzoic acid, 2-(1-oxopropoxy)-, methyl ester?
The CAS number of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester is 40523-60-2.
What is the molecular formula of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester?
The molecular formula of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester is C11H12O4.
What is the molecular weight of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester?
The molecular weight of Benzoic acid, 2-(1-oxopropoxy)-, methyl ester is 208.07 g/mol.
Where can I buy Benzoic acid, 2-(1-oxopropoxy)-, methyl ester?
You can request a quote for Benzoic acid, 2-(1-oxopropoxy)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(1-oxopropoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(1-oxopropoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.