(2-Methylphenyl)propanoate
TL;DR: (2-Methylphenyl)propanoate (CAS 6963-54-8) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) propanoate
Also Known As: O-tolyl propionate, o-cresol propionate, (2-methylphenyl)propanoate, (2-methylphenyl) propanoate, 2-methylphenyl propionate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 6963-54-8 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC=C1C |
| InChIKey | XLLPLDFNCXWUOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methylphenyl)propanoate (CAS 6963-54-8), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (2-methylphenyl) propanoate.
Chemical Property Profile of (2-Methylphenyl)propanoate
Property Insights of (2-Methylphenyl)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methylphenyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Methylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylphenyl)propanoate has 0 hydrogen bond donor(s) and 2 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 (2-Methylphenyl)propanoate?
The CAS number of (2-Methylphenyl)propanoate is 6963-54-8.
What is the molecular formula of (2-Methylphenyl)propanoate?
The molecular formula of (2-Methylphenyl)propanoate is C10H12O2.
What is the molecular weight of (2-Methylphenyl)propanoate?
The molecular weight of (2-Methylphenyl)propanoate is 164.08 g/mol.
Where can I buy (2-Methylphenyl)propanoate?
You can request a quote for (2-Methylphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.