Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate
TL;DR: Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate (CAS 4194-00-7) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-prop-1-enylphenyl) benzoate
Also Known As: Isoeugenol-benzoat, isoeugenyl benzoate, Isoeugenol benzoate, Phenol, 2-methoxy-4-(1-propenyl)-, benzoate, 2-Methoxy-4-prop-1-enylphenyl benzoate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 4194-00-7 |
|---|---|
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC |
| InChIKey | UREJOPRZQKQYLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate (CAS 4194-00-7), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (2-methoxy-4-prop-1-enylphenyl) benzoate.
Chemical Property Profile of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate
Property Insights of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate
The XLogP value of 4.3 indicates that Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate has 0 hydrogen bond donor(s) and 3 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 Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate?
The CAS number of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate is 4194-00-7.
What is the molecular formula of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate?
The molecular formula of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate is C17H16O3.
What is the molecular weight of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate?
The molecular weight of Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate is 268.11 g/mol.
Where can I buy Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate?
You can request a quote for Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.