4-Chlorophenyl 2-ethylbutanoate
TL;DR: 4-Chlorophenyl 2-ethylbutanoate (CAS 6513-06-0) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-ethylbutanoate
Also Known As: 4-chlorophenyl 2-ethylbutanoate, (4-chlorophenyl) 2-ethylbutanoate, 2-Ethylbutyric acid, 4-chlorophenyl ester, AN-652/42190581
| Molecular Formula | C12H15ClO2 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 3.6816 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.07605 |
| Heavy Atoms | 15 |
| Complexity | 314.89893 |
Chemical Identifiers
| CAS Number | 6513-06-0 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1=CC=C(C=C1)Cl |
Product Overview
4-Chlorophenyl 2-ethylbutanoate (CAS 6513-06-0), with molecular formula C12H15ClO2 and molecular weight 226.08 g/mol. IUPAC: (4-chlorophenyl) 2-ethylbutanoate.
Chemical Property Profile of 4-Chlorophenyl 2-ethylbutanoate
Property Insights of 4-Chlorophenyl 2-ethylbutanoate
The XLogP value of 3.6816 indicates that 4-Chlorophenyl 2-ethylbutanoate 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-Chlorophenyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 2-ethylbutanoate 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-Chlorophenyl 2-ethylbutanoate?
The CAS number of 4-Chlorophenyl 2-ethylbutanoate is 6513-06-0.
What is the molecular formula of 4-Chlorophenyl 2-ethylbutanoate?
The molecular formula of 4-Chlorophenyl 2-ethylbutanoate is C12H15ClO2.
What is the molecular weight of 4-Chlorophenyl 2-ethylbutanoate?
The molecular weight of 4-Chlorophenyl 2-ethylbutanoate is 226.08 g/mol.
Where can I buy 4-Chlorophenyl 2-ethylbutanoate?
You can request a quote for 4-Chlorophenyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.