3-Phenylallyl formate
TL;DR: 3-Phenylallyl formate (CAS 104-65-4) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enyl formate
Also Known As: Cinnamyl formate, 3-Phenylallyl formate, Cinnamyl alcohol, formate, 3-phenylprop-2-enyl formate, 3-phenylprop-2-en-1-yl formate
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 104-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCOC=O |
| InChIKey | LBHJXKYRYCUGPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylallyl formate (CAS 104-65-4), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 3-phenylprop-2-enyl formate.
Chemical Property Profile of 3-Phenylallyl formate
Property Insights of 3-Phenylallyl formate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylallyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylallyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylallyl 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-Phenylallyl formate?
The CAS number of 3-Phenylallyl formate is 104-65-4.
What is the molecular formula of 3-Phenylallyl formate?
The molecular formula of 3-Phenylallyl formate is C10H10O2.
What is the molecular weight of 3-Phenylallyl formate?
The molecular weight of 3-Phenylallyl formate is 162.07 g/mol.
Where can I buy 3-Phenylallyl formate?
You can request a quote for 3-Phenylallyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylallyl formate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylallyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.