4-(1,1-Diethylpropyl)benzoic acid
TL;DR: 4-(1,1-Diethylpropyl)benzoic acid (CAS 37872-27-8) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethylpentan-3-yl)benzoic acid
Also Known As: 4-(1,1-diethylpropyl)benzoic acid, 4-(3-ethylpentan-3-yl)benzoic acid, Benzoic acid, 4-(1,1-diethylpropyl)-, 4-(3-Ethyl-3-pentanyl)benzoic acid, 4-(1,1-Diaethyl-propyl)-benzoesaeure
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.8526 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 339.23837 |
Chemical Identifiers
| CAS Number | 37872-27-8 |
|---|---|
| SMILES | CCC(CC)(CC)C1=CC=C(C=C1)C(=O)O |
Product Overview
4-(1,1-Diethylpropyl)benzoic acid (CAS 37872-27-8), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 4-(3-ethylpentan-3-yl)benzoic acid.
Chemical Property Profile of 4-(1,1-Diethylpropyl)benzoic acid
Property Insights of 4-(1,1-Diethylpropyl)benzoic acid
The XLogP value of 3.8526 indicates that 4-(1,1-Diethylpropyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(1,1-Diethylpropyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Diethylpropyl)benzoic acid has 1 hydrogen bond donor(s) and 1 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-(1,1-Diethylpropyl)benzoic acid?
The CAS number of 4-(1,1-Diethylpropyl)benzoic acid is 37872-27-8.
What is the molecular formula of 4-(1,1-Diethylpropyl)benzoic acid?
The molecular formula of 4-(1,1-Diethylpropyl)benzoic acid is C14H20O2.
What is the molecular weight of 4-(1,1-Diethylpropyl)benzoic acid?
The molecular weight of 4-(1,1-Diethylpropyl)benzoic acid is 220.15 g/mol.
Where can I buy 4-(1,1-Diethylpropyl)benzoic acid?
You can request a quote for 4-(1,1-Diethylpropyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Diethylpropyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Diethylpropyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.