苯甲酸苄酯
TL;DR: 苯甲酸苄酯 (CAS 120-51-4) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸苄酯
benzyl benzoate
Also Known As: BENZYL BENZOATE, Ascabiol, Benylate, Novoscabin, Scobenol
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
| Melting Point | 21 |
| Boiling Point | 323.5 |
| Density | 1.1121 g/cu cm at 25 °C |
| Solubility | 15.4 |
| Flash Point | 148 °C |
| Vapor Pressure | 0.000224 [mmHg] |
| Refractive Index | 1.5680 at 20 °C |
Chemical Identifiers
| CAS Number | 120-51-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
| InChIKey | SESFRYSPDFLNCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸苄酯 (CAS 120-51-4), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: benzyl benzoate.
Chemical Property Profile of 苯甲酸苄酯
Property Insights of 苯甲酸苄酯
The XLogP value of 4.0 indicates that 苯甲酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸苄酯 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 苯甲酸苄酯?
The CAS number of 苯甲酸苄酯 is 120-51-4.
What is the molecular formula of 苯甲酸苄酯?
The molecular formula of 苯甲酸苄酯 is C14H12O2.
What is the molecular weight of 苯甲酸苄酯?
The molecular weight of 苯甲酸苄酯 is 212.08 g/mol.
Where can I buy 苯甲酸苄酯?
You can request a quote for 苯甲酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.