Phenyl butyrate
TL;DR: Phenyl butyrate (CAS 4346-18-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl butanoate
Also Known As: phenyl butyrate, phenyl butanoate, Butanoic acid, phenyl ester, Phenylbutyrate, Butyrates
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
| Density | 1.020-1.028 (20°) |
| Solubility | Practically insoluble or insoluble in water; soluble in ether |
| Refractive Index | 1.448-1.494 |
Chemical Identifiers
| CAS Number | 4346-18-3 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC=C1 |
| InChIKey | IGVPBCZDHMIOJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl butyrate (CAS 4346-18-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: phenyl butanoate.
Chemical Property Profile of Phenyl butyrate
Property Insights of Phenyl butyrate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl butyrate?
The CAS number of Phenyl butyrate is 4346-18-3.
What is the molecular formula of Phenyl butyrate?
The molecular formula of Phenyl butyrate is C10H12O2.
What is the molecular weight of Phenyl butyrate?
The molecular weight of Phenyl butyrate is 164.08 g/mol.
Where can I buy Phenyl butyrate?
You can request a quote for Phenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.