Allyl benzoate
TL;DR: Allyl benzoate (CAS 583-04-0) 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.
prop-2-enyl benzoate
Also Known As: Allyl benzoate, 2-Propenyl benzoate, prop-2-enyl benzoate, Benzoic acid, 2-propenyl ester, Benzoic acid, allyl ester
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.4 |
| 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 | 157.0 |
| Boiling Point | 82.00 to 85.00 °C. @ 5.00 mm Hg |
Chemical Identifiers
| CAS Number | 583-04-0 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=CC=C1 |
| InChIKey | LYJHVEDILOKZCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl benzoate (CAS 583-04-0), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: prop-2-enyl benzoate.
Chemical Property Profile of Allyl benzoate
Property Insights of Allyl benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl benzoate 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 Allyl benzoate?
The CAS number of Allyl benzoate is 583-04-0.
What is the molecular formula of Allyl benzoate?
The molecular formula of Allyl benzoate is C10H10O2.
What is the molecular weight of Allyl benzoate?
The molecular weight of Allyl benzoate is 162.07 g/mol.
Where can I buy Allyl benzoate?
You can request a quote for Allyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.