對羥基苯甲酸甲酯
TL;DR: 對羥基苯甲酸甲酯 (CAS 99-76-3) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
對羥基苯甲酸甲酯
methyl 4-hydroxybenzoate
Also Known As: Methyl 4-hydroxybenzoate, METHYLPARABEN, Methyl paraben, Nipagin, Methyl p-hydroxybenzoate
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Melting Point | ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C |
| Boiling Point | 270.5 °C (decomposes) |
| Solubility | In water, 2.50X10+3 mg/L at 25 °C |
| Vapor Pressure | 0.000237 [mmHg] |
Chemical Identifiers
| CAS Number | 99-76-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)O |
| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
對羥基苯甲酸甲酯 (CAS 99-76-3), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: methyl 4-hydroxybenzoate.
Chemical Property Profile of 對羥基苯甲酸甲酯
Property Insights of 對羥基苯甲酸甲酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 對羥基苯甲酸甲酯. With a topological polar surface area (TPSA) of 46.5 Ų, 對羥基苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 對羥基苯甲酸甲酯 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 對羥基苯甲酸甲酯?
The CAS number of 對羥基苯甲酸甲酯 is 99-76-3.
What is the molecular formula of 對羥基苯甲酸甲酯?
The molecular formula of 對羥基苯甲酸甲酯 is C8H8O3.
What is the molecular weight of 對羥基苯甲酸甲酯?
The molecular weight of 對羥基苯甲酸甲酯 is 152.05 g/mol.
Where can I buy 對羥基苯甲酸甲酯?
You can request a quote for 對羥基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 對羥基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 對羥基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.