Methyl 3-(p-tolyl)propanoate
TL;DR: Methyl 3-(p-tolyl)propanoate (CAS 56955-36-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylphenyl)propanoate
Also Known As: Methyl 3-(p-tolyl)propanoate, Methyl 3-(4-methylphenyl)propanoate, 4-Methyl-benzenepropanoic acid methyl ester, Methyl 3-p-tolylpropanoate, Methyl3-(p-tolyl)propanoate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.10062 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 274.64667 |
Chemical Identifiers
| CAS Number | 56955-36-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCC(=O)OC |
Product Overview
Methyl 3-(p-tolyl)propanoate (CAS 56955-36-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: methyl 3-(4-methylphenyl)propanoate.
Chemical Property Profile of Methyl 3-(p-tolyl)propanoate
Property Insights of Methyl 3-(p-tolyl)propanoate
The XLogP value of 2.10062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(p-tolyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(p-tolyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(p-tolyl)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 Methyl 3-(p-tolyl)propanoate?
The CAS number of Methyl 3-(p-tolyl)propanoate is 56955-36-3.
What is the molecular formula of Methyl 3-(p-tolyl)propanoate?
The molecular formula of Methyl 3-(p-tolyl)propanoate is C11H14O2.
What is the molecular weight of Methyl 3-(p-tolyl)propanoate?
The molecular weight of Methyl 3-(p-tolyl)propanoate is 178.10 g/mol.
Where can I buy Methyl 3-(p-tolyl)propanoate?
You can request a quote for Methyl 3-(p-tolyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(p-tolyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(p-tolyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.