4-羟基-3,5-二异丙基苯甲酸
TL;DR: 4-羟基-3,5-二异丙基苯甲酸 (CAS 13423-73-9) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3,5-二异丙基苯甲酸
4-hydroxy-3,5-di(propan-2-yl)benzoic acid
Also Known As: 4-Hydroxy-3,5-diisopropylbenzoic Acid, 3,5-Diisopropyl-4-hydroxybenzoic acid, Propofol 4-Carboxylic Acid, Propofol EP impurity N, Propofol Impurity N
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 13423-73-9 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1O)C(C)C)C(=O)O |
| InChIKey | WYAZPCLFZZTVSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3,5-二异丙基苯甲酸 (CAS 13423-73-9), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 4-hydroxy-3,5-di(propan-2-yl)benzoic acid.
Chemical Property Profile of 4-羟基-3,5-二异丙基苯甲酸
Property Insights of 4-羟基-3,5-二异丙基苯甲酸
The XLogP value of 3.3 indicates that 4-羟基-3,5-二异丙基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-羟基-3,5-二异丙基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3,5-二异丙基苯甲酸 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 4-羟基-3,5-二异丙基苯甲酸?
The CAS number of 4-羟基-3,5-二异丙基苯甲酸 is 13423-73-9.
What is the molecular formula of 4-羟基-3,5-二异丙基苯甲酸?
The molecular formula of 4-羟基-3,5-二异丙基苯甲酸 is C13H18O3.
What is the molecular weight of 4-羟基-3,5-二异丙基苯甲酸?
The molecular weight of 4-羟基-3,5-二异丙基苯甲酸 is 222.13 g/mol.
Where can I buy 4-羟基-3,5-二异丙基苯甲酸?
You can request a quote for 4-羟基-3,5-二异丙基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3,5-二异丙基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3,5-二异丙基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.