4-Ethylphenyl butyrate
TL;DR: 4-Ethylphenyl butyrate (CAS 94087-47-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylphenyl) butanoate
Also Known As: 4-Ethylphenyl butyrate, (4-ethylphenyl) butanoate, 4-ETHYLPHENYL BUTANOATE, Butanoic acid 4-ethylphenyl ester, Butanoic acid,4-ethylphenyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 94087-47-5 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)CC |
| InChIKey | LJJIVMPTNVPYMN-UHFFFAOYSA-N |
Product Overview
4-Ethylphenyl butyrate (CAS 94087-47-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (4-ethylphenyl) butanoate.
Chemical Property Profile of 4-Ethylphenyl butyrate
Property Insights of 4-Ethylphenyl butyrate
The XLogP value of 3.4 indicates that 4-Ethylphenyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Ethylphenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylphenyl butyrate 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 4-Ethylphenyl butyrate?
The CAS number of 4-Ethylphenyl butyrate is 94087-47-5.
What is the molecular formula of 4-Ethylphenyl butyrate?
The molecular formula of 4-Ethylphenyl butyrate is C12H16O2.
What is the molecular weight of 4-Ethylphenyl butyrate?
The molecular weight of 4-Ethylphenyl butyrate is 192.12 g/mol.
Where can I buy 4-Ethylphenyl butyrate?
You can request a quote for 4-Ethylphenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylphenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylphenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.