4-羟基苯甲酸苄酯
TL;DR: 4-羟基苯甲酸苄酯 (CAS 94-18-8) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基苯甲酸苄酯
benzyl 4-hydroxybenzoate
Also Known As: Benzyl 4-hydroxybenzoate, Benzylparaben, Benzyl paraben, Nipabenzyl, Benzyl Tegosept
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 94-18-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O |
| InChIKey | MOZDKDIOPSPTBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基苯甲酸苄酯 (CAS 94-18-8), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: benzyl 4-hydroxybenzoate.
Chemical Property Profile of 4-羟基苯甲酸苄酯
Property Insights of 4-羟基苯甲酸苄酯
The XLogP value of 3.6 indicates that 4-羟基苯甲酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-羟基苯甲酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基苯甲酸苄酯 has 1 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 4-羟基苯甲酸苄酯?
The CAS number of 4-羟基苯甲酸苄酯 is 94-18-8.
What is the molecular formula of 4-羟基苯甲酸苄酯?
The molecular formula of 4-羟基苯甲酸苄酯 is C14H12O3.
What is the molecular weight of 4-羟基苯甲酸苄酯?
The molecular weight of 4-羟基苯甲酸苄酯 is 228.08 g/mol.
Where can I buy 4-羟基苯甲酸苄酯?
You can request a quote for 4-羟基苯甲酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基苯甲酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基苯甲酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.