alpha-Methylbenzyl butyrate
TL;DR: alpha-Methylbenzyl butyrate (CAS 34837-55-3) 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.
1-phenylethyl butanoate
Also Known As: 1-Phenylethyl butanoate, 1-Phenylethyl butyrate, alpha-Methylbenzyl butyrate, Styralyl butyrate, Styrallyl butyrate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.8 |
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 34837-55-3 |
|---|---|
| SMILES | CCCC(=O)OC(C)C1=CC=CC=C1 |
| InChIKey | GGKADXREVJTZMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylbenzyl butyrate (CAS 34837-55-3), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 1-phenylethyl butanoate.
Chemical Property Profile of alpha-Methylbenzyl butyrate
Property Insights of alpha-Methylbenzyl butyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylbenzyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Methylbenzyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylbenzyl 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 alpha-Methylbenzyl butyrate?
The CAS number of alpha-Methylbenzyl butyrate is 34837-55-3.
What is the molecular formula of alpha-Methylbenzyl butyrate?
The molecular formula of alpha-Methylbenzyl butyrate is C12H16O2.
What is the molecular weight of alpha-Methylbenzyl butyrate?
The molecular weight of alpha-Methylbenzyl butyrate is 192.12 g/mol.
Where can I buy alpha-Methylbenzyl butyrate?
You can request a quote for alpha-Methylbenzyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylbenzyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylbenzyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.