3-Phenylpropyl formate
TL;DR: 3-Phenylpropyl formate (CAS 104-64-3) 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.
3-phenylpropyl formate
Also Known As: 3-Phenylpropyl formate, Hydrocinnamyl formate, Hydrocinnamyl methanoate, Phenylpropyl formate, 3-Phenylpropyl methanoate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| Density | 1.012-1.019 |
| Solubility | insoluble in water |
| Refractive Index | 1.494-1.499 |
Chemical Identifiers
| CAS Number | 104-64-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC=O |
| InChIKey | AMHRXSOVSAQOKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl formate (CAS 104-64-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 3-phenylpropyl formate.
Chemical Property Profile of 3-Phenylpropyl formate
Property Insights of 3-Phenylpropyl formate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylpropyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl formate 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 formate?
The CAS number of 3-Phenylpropyl formate is 104-64-3.
What is the molecular formula of 3-Phenylpropyl formate?
The molecular formula of 3-Phenylpropyl formate is C10H12O2.
What is the molecular weight of 3-Phenylpropyl formate?
The molecular weight of 3-Phenylpropyl formate is 164.08 g/mol.
Where can I buy 3-Phenylpropyl formate?
You can request a quote for 3-Phenylpropyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl formate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.