Benzoic acid, 3,5-dipropyl-4-hydroxy-
TL;DR: Benzoic acid, 3,5-dipropyl-4-hydroxy- (CAS 100482-27-7) 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-hydroxy-3,5-dipropylbenzoic acid
Also Known As: 4-Hydroxy-3,5-dipropylbenzoic acid, Propofol Impurity 35, Propofol Impurity 39, 3,5-Dipropyl-4-hydroxybenzoic acid, 4-hydroxy-3,5-dipropylbenzoicacid
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 100482-27-7 |
|---|---|
| SMILES | CCCC1=CC(=CC(=C1O)CCC)C(=O)O |
| InChIKey | RRADOGMUVWBEFW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dipropyl-4-hydroxy- (CAS 100482-27-7), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 4-hydroxy-3,5-dipropylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3,5-dipropyl-4-hydroxy-
Property Insights of Benzoic acid, 3,5-dipropyl-4-hydroxy-
The XLogP value of 3.8 indicates that Benzoic acid, 3,5-dipropyl-4-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 3,5-dipropyl-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dipropyl-4-hydroxy- 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 Benzoic acid, 3,5-dipropyl-4-hydroxy-?
The CAS number of Benzoic acid, 3,5-dipropyl-4-hydroxy- is 100482-27-7.
What is the molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy-?
The molecular formula of Benzoic acid, 3,5-dipropyl-4-hydroxy- is C13H18O3.
What is the molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy-?
The molecular weight of Benzoic acid, 3,5-dipropyl-4-hydroxy- is 222.13 g/mol.
Where can I buy Benzoic acid, 3,5-dipropyl-4-hydroxy-?
You can request a quote for Benzoic acid, 3,5-dipropyl-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-dipropyl-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dipropyl-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.