Benzene, (3-propoxy-1-propenyl)-
TL;DR: Benzene, (3-propoxy-1-propenyl)- (CAS 54518-01-3) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propoxyprop-1-enylbenzene
Also Known As: Cinnamyl propyl ether, 3-Phenylallylpropyl ether, 3-propoxyprop-1-enylbenzene, Benzene, (3-propoxy-1-propenyl)-, Benzene,(3-propoxy-1-propenyl)
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 54518-01-3 |
|---|---|
| SMILES | CCCOCC=CC1=CC=CC=C1 |
| InChIKey | FOULKAPJVUMBTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (3-propoxy-1-propenyl)- (CAS 54518-01-3), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-propoxyprop-1-enylbenzene.
Chemical Property Profile of Benzene, (3-propoxy-1-propenyl)-
Property Insights of Benzene, (3-propoxy-1-propenyl)-
The XLogP value of 3.1 indicates that Benzene, (3-propoxy-1-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, (3-propoxy-1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (3-propoxy-1-propenyl)- has 0 hydrogen bond donor(s) and 1 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 Benzene, (3-propoxy-1-propenyl)-?
The CAS number of Benzene, (3-propoxy-1-propenyl)- is 54518-01-3.
What is the molecular formula of Benzene, (3-propoxy-1-propenyl)-?
The molecular formula of Benzene, (3-propoxy-1-propenyl)- is C12H16O.
What is the molecular weight of Benzene, (3-propoxy-1-propenyl)-?
The molecular weight of Benzene, (3-propoxy-1-propenyl)- is 176.12 g/mol.
Where can I buy Benzene, (3-propoxy-1-propenyl)-?
You can request a quote for Benzene, (3-propoxy-1-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (3-propoxy-1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (3-propoxy-1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.