3-Phenylpropyl 2-ethylbutanoate
TL;DR: 3-Phenylpropyl 2-ethylbutanoate (CAS 10432-74-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 2-ethylbutanoate
Also Known As: 3-phenylpropyl 2-ethylbutanoate, 2-Ethylbutyric acid, 3-phenylpropyl ester, Butanoicacid, 2-ethyl-, 3-phenylpropyl ester, RefChem:281844
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 10432-74-3 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCCC1=CC=CC=C1 |
| InChIKey | RIIHSWLVNNRVOK-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl 2-ethylbutanoate (CAS 10432-74-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 3-phenylpropyl 2-ethylbutanoate.
Chemical Property Profile of 3-Phenylpropyl 2-ethylbutanoate
Property Insights of 3-Phenylpropyl 2-ethylbutanoate
The XLogP value of 4.3 indicates that 3-Phenylpropyl 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, 3-Phenylpropyl 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 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 3-Phenylpropyl 2-ethylbutanoate?
The CAS number of 3-Phenylpropyl 2-ethylbutanoate is 10432-74-3.
What is the molecular formula of 3-Phenylpropyl 2-ethylbutanoate?
The molecular formula of 3-Phenylpropyl 2-ethylbutanoate is C15H22O2.
What is the molecular weight of 3-Phenylpropyl 2-ethylbutanoate?
The molecular weight of 3-Phenylpropyl 2-ethylbutanoate is 234.16 g/mol.
Where can I buy 3-Phenylpropyl 2-ethylbutanoate?
You can request a quote for 3-Phenylpropyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.