Butanoic acid, (1S)-1-phenylethyl ester
TL;DR: Butanoic acid, (1S)-1-phenylethyl ester (CAS 161024-76-6) 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.
[(1S)-1-phenylethyl] butanoate
Also Known As: (s)-1-phenylethyl butyrate, (s)-phenylethyl butanoate, (1S)-1-phenylethyl butanoate, Butanoic acid, (1S)-1-phenylethyl ester, Butanoic acid, 1-phenylethyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.0909 |
| 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 | 161024-76-6 |
|---|---|
| SMILES | CCCC(=O)O[C@@H](C)C1=CC=CC=C1 |
Product Overview
Butanoic acid, (1S)-1-phenylethyl ester (CAS 161024-76-6), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: [(1S)-1-phenylethyl] butanoate.
Chemical Property Profile of Butanoic acid, (1S)-1-phenylethyl ester
Property Insights of Butanoic acid, (1S)-1-phenylethyl ester
The XLogP value of 3.0909 indicates that Butanoic acid, (1S)-1-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, (1S)-1-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, (1S)-1-phenylethyl ester 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 Butanoic acid, (1S)-1-phenylethyl ester?
The CAS number of Butanoic acid, (1S)-1-phenylethyl ester is 161024-76-6.
What is the molecular formula of Butanoic acid, (1S)-1-phenylethyl ester?
The molecular formula of Butanoic acid, (1S)-1-phenylethyl ester is C12H16O2.
What is the molecular weight of Butanoic acid, (1S)-1-phenylethyl ester?
The molecular weight of Butanoic acid, (1S)-1-phenylethyl ester is 192.12 g/mol.
Where can I buy Butanoic acid, (1S)-1-phenylethyl ester?
You can request a quote for Butanoic acid, (1S)-1-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, (1S)-1-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, (1S)-1-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.