对羟基苯甲酸
TL;DR: 对羟基苯甲酸 (CAS 99-96-7) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对羟基苯甲酸
4-hydroxybenzoic acid
Also Known As: 4-HYDROXYBENZOIC ACID, p-Hydroxybenzoic acid, p-Salicylic acid, 4-Carboxyphenol, 4-hydroxybenzoate
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| Melting Point | 214.5 °C |
| Boiling Point | 334.00 to 335.00 °C. @ 760.00 mm Hg |
| Density | 1.46 g/cu cm @ 25 °C |
| Solubility | Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C) |
| Vapor Pressure | 0.00000019 [mmHg] |
Chemical Identifiers
| CAS Number | 99-96-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)O |
| InChIKey | FJKROLUGYXJWQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对羟基苯甲酸 (CAS 99-96-7), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 4-hydroxybenzoic acid.
Chemical Property Profile of 对羟基苯甲酸
Property Insights of 对羟基苯甲酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对羟基苯甲酸. With a topological polar surface area (TPSA) of 57.5 Ų, 对羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对羟基苯甲酸 has 2 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 对羟基苯甲酸?
The CAS number of 对羟基苯甲酸 is 99-96-7.
What is the molecular formula of 对羟基苯甲酸?
The molecular formula of 对羟基苯甲酸 is C7H6O3.
What is the molecular weight of 对羟基苯甲酸?
The molecular weight of 对羟基苯甲酸 is 138.03 g/mol.
Where can I buy 对羟基苯甲酸?
You can request a quote for 对羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 对羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.