Methyl 2-pentanoyloxybenzoate
TL;DR: Methyl 2-pentanoyloxybenzoate (CAS 40523-62-4) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-pentanoyloxybenzoate
Also Known As: methyl 2-pentanoyloxybenzoate, methyl 2-(pentanoyloxy)benzoate, AN-652/42190965
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.5688 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 398.16086 |
Chemical Identifiers
| CAS Number | 40523-62-4 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-pentanoyloxybenzoate (CAS 40523-62-4), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: methyl 2-pentanoyloxybenzoate.
Chemical Property Profile of Methyl 2-pentanoyloxybenzoate
Property Insights of Methyl 2-pentanoyloxybenzoate
The XLogP value of 2.5688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-pentanoyloxybenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-pentanoyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-pentanoyloxybenzoate 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 Methyl 2-pentanoyloxybenzoate?
The CAS number of Methyl 2-pentanoyloxybenzoate is 40523-62-4.
What is the molecular formula of Methyl 2-pentanoyloxybenzoate?
The molecular formula of Methyl 2-pentanoyloxybenzoate is C13H16O4.
What is the molecular weight of Methyl 2-pentanoyloxybenzoate?
The molecular weight of Methyl 2-pentanoyloxybenzoate is 236.10 g/mol.
Where can I buy Methyl 2-pentanoyloxybenzoate?
You can request a quote for Methyl 2-pentanoyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-pentanoyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-pentanoyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.