3-Phenyl-3-buten-1-yl acetate
TL;DR: 3-Phenyl-3-buten-1-yl acetate (CAS 7306-12-9) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbut-3-enyl acetate
Also Known As: 3-Phenylbut-3-enyl acetate, hawthorn acetate, 3-Phenyl-3-buten-1-yl acetate, 3-phenylbut-3-en-1-yl acetate, 3-Phenyl-3-butenyl=acetate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 7306-12-9 |
|---|---|
| SMILES | CC(=O)OCCC(=C)C1=CC=CC=C1 |
| InChIKey | RIKRCGVPSVKZJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-3-buten-1-yl acetate (CAS 7306-12-9), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-phenylbut-3-enyl acetate.
Chemical Property Profile of 3-Phenyl-3-buten-1-yl acetate
Property Insights of 3-Phenyl-3-buten-1-yl acetate
The XLogP value of 3.1 indicates that 3-Phenyl-3-buten-1-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenyl-3-buten-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-3-buten-1-yl acetate 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-Phenyl-3-buten-1-yl acetate?
The CAS number of 3-Phenyl-3-buten-1-yl acetate is 7306-12-9.
What is the molecular formula of 3-Phenyl-3-buten-1-yl acetate?
The molecular formula of 3-Phenyl-3-buten-1-yl acetate is C12H14O2.
What is the molecular weight of 3-Phenyl-3-buten-1-yl acetate?
The molecular weight of 3-Phenyl-3-buten-1-yl acetate is 190.10 g/mol.
Where can I buy 3-Phenyl-3-buten-1-yl acetate?
You can request a quote for 3-Phenyl-3-buten-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-3-buten-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-3-buten-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.