![2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid structure](/static/products/109/109591-01-7.png)
2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid
TL;DR: 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid (CAS 109591-01-7) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylheptan-3-yloxycarbonyl)benzoic acid
Also Known As: dl-mono-1-tert-butylpentyl phthalate, 2-(2,2-dimethylheptan-3-yloxycarbonyl)benzoic Acid, 2-{[(1-tert-butylpentyl)oxy]carbonyl}benzoic acid
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 4.1465 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 499.7567 |
Chemical Identifiers
| CAS Number | 109591-01-7 |
|---|---|
| SMILES | CCCCC(C(C)(C)C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid (CAS 109591-01-7), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 2-(2,2-dimethylheptan-3-yloxycarbonyl)benzoic acid.
Chemical Property Profile of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid
Property Insights of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid
The XLogP value of 4.1465 indicates that 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid has 1 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 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid?
The CAS number of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid is 109591-01-7.
What is the molecular formula of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid?
The molecular formula of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid is C17H24O4.
What is the molecular weight of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid?
The molecular weight of 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid is 292.17 g/mol.
Where can I buy 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid?
You can request a quote for 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(1-Tert-butylpentyl)oxy]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.