Ethyl 4-(4-methylphenyl)butanoate
TL;DR: Ethyl 4-(4-methylphenyl)butanoate (CAS 36440-63-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)butanoate
Also Known As: Ethyl 4-(4-methylphenyl)butanoate, BENZENEBUTANOIC ACID,4-METHYL-,ETHYL ESTER
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.88082 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 300.81693 |
Chemical Identifiers
| CAS Number | 36440-63-8 |
|---|---|
| SMILES | CCOC(=O)CCCC1=CC=C(C=C1)C |
Product Overview
Ethyl 4-(4-methylphenyl)butanoate (CAS 36440-63-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 4-(4-methylphenyl)butanoate.
Chemical Property Profile of Ethyl 4-(4-methylphenyl)butanoate
Property Insights of Ethyl 4-(4-methylphenyl)butanoate
The XLogP value of 2.88082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-methylphenyl)butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-(4-methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-methylphenyl)butanoate 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 Ethyl 4-(4-methylphenyl)butanoate?
The CAS number of Ethyl 4-(4-methylphenyl)butanoate is 36440-63-8.
What is the molecular formula of Ethyl 4-(4-methylphenyl)butanoate?
The molecular formula of Ethyl 4-(4-methylphenyl)butanoate is C13H18O2.
What is the molecular weight of Ethyl 4-(4-methylphenyl)butanoate?
The molecular weight of Ethyl 4-(4-methylphenyl)butanoate is 206.13 g/mol.
Where can I buy Ethyl 4-(4-methylphenyl)butanoate?
You can request a quote for Ethyl 4-(4-methylphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.