p-tert-Butylbenzoic acid, diisopropanolamine salt
TL;DR: p-tert-Butylbenzoic acid, diisopropanolamine salt (CAS 68213-81-0) is a chemical compound with molecular formula C17H29NO4 and molecular weight 311.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylbenzoic acid;1-(2-hydroxypropylamino)propan-2-ol
Also Known As: p-tert-Butylbenzoic acid, diisopropanolamine salt, Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1,1'-iminobis[2-propanol] (1:1), 4-tert-butylbenzoic acid,1-(2-hydroxypropylamino)propan-2-ol, 4-tert-butylbenzoic acid; 1-(2-hydroxypropylamino)propan-2-ol, 4-tert-Butylbenzoic acid--1,1'-azanediyldi(propan-2-ol) (1/1)
| Molecular Formula | C17H29NO4 |
|---|---|
| Molecular Weight | 311.21 g/mol |
| LogP | 2.0199 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.20966 |
| Heavy Atoms | 22 |
| Complexity | 424.96732 |
Chemical Identifiers
| CAS Number | 68213-81-0 |
|---|---|
| SMILES | CC(CNCC(C)O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O |
Product Overview
p-tert-Butylbenzoic acid, diisopropanolamine salt (CAS 68213-81-0), with molecular formula C17H29NO4 and molecular weight 311.21 g/mol. IUPAC: 4-tert-butylbenzoic acid;1-(2-hydroxypropylamino)propan-2-ol.
Chemical Property Profile of p-tert-Butylbenzoic acid, diisopropanolamine salt
Property Insights of p-tert-Butylbenzoic acid, diisopropanolamine salt
The XLogP value of 2.0199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-tert-Butylbenzoic acid, diisopropanolamine salt. The TPSA of 89.79 Ų falls within the moderate polarity range, balancing permeability and solubility for p-tert-Butylbenzoic acid, diisopropanolamine salt. Following Lipinski's Rule of Five, p-tert-Butylbenzoic acid, diisopropanolamine salt has 4 hydrogen bond donor(s) and 4 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 p-tert-Butylbenzoic acid, diisopropanolamine salt?
The CAS number of p-tert-Butylbenzoic acid, diisopropanolamine salt is 68213-81-0.
What is the molecular formula of p-tert-Butylbenzoic acid, diisopropanolamine salt?
The molecular formula of p-tert-Butylbenzoic acid, diisopropanolamine salt is C17H29NO4.
What is the molecular weight of p-tert-Butylbenzoic acid, diisopropanolamine salt?
The molecular weight of p-tert-Butylbenzoic acid, diisopropanolamine salt is 311.21 g/mol.
Where can I buy p-tert-Butylbenzoic acid, diisopropanolamine salt?
You can request a quote for p-tert-Butylbenzoic acid, diisopropanolamine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylbenzoic acid, diisopropanolamine salt?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylbenzoic acid, diisopropanolamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.