(+)-Ethyl 2-phenylbutanoate
TL;DR: (+)-Ethyl 2-phenylbutanoate (CAS 76411-89-7) 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.
ethyl (2S)-2-phenylbutanoate
Also Known As: Ethyl 2-phenylbutanoate, Ethyl (S)-2-phenylbutyrate, (+)-Ethyl 2-phenylbutanoate, ethyl (2S)-2-phenylbutanoate, Ethyl 2-phenylbutanoate, (+)-
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7433 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 279.63303 |
Chemical Identifiers
| CAS Number | 76411-89-7 |
|---|---|
| SMILES | CC[C@@H](C1=CC=CC=C1)C(=O)OCC |
Product Overview
(+)-Ethyl 2-phenylbutanoate (CAS 76411-89-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: ethyl (2S)-2-phenylbutanoate.
Chemical Property Profile of (+)-Ethyl 2-phenylbutanoate
Property Insights of (+)-Ethyl 2-phenylbutanoate
The XLogP value of 2.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Ethyl 2-phenylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (+)-Ethyl 2-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Ethyl 2-phenylbutanoate 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 2-phenylbutanoate?
The CAS number of (+)-Ethyl 2-phenylbutanoate is 76411-89-7.
What is the molecular formula of (+)-Ethyl 2-phenylbutanoate?
The molecular formula of (+)-Ethyl 2-phenylbutanoate is C12H16O2.
What is the molecular weight of (+)-Ethyl 2-phenylbutanoate?
The molecular weight of (+)-Ethyl 2-phenylbutanoate is 192.12 g/mol.
Where can I buy (+)-Ethyl 2-phenylbutanoate?
You can request a quote for (+)-Ethyl 2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Ethyl 2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Ethyl 2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.