![2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid structure](/static/products/111/111501-63-4.png)
2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid
TL;DR: 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid (CAS 111501-63-4) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-cyclohexyl-3-methylbutoxy)carbonylbenzoic acid
Also Known As: dl-mono-1-cyclohexyl-3-methylbutyl phthalate, 2-[(1-cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid, 2-(1-cyclohexyl-3-methylbutoxy)carbonylbenzoic acid, 2-(1-cyclohexyl-3-methyl-butoxy)carbonylbenzoic Acid
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.5366 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 544.05554 |
Chemical Identifiers
| CAS Number | 111501-63-4 |
|---|---|
| SMILES | CC(C)CC(C1CCCCC1)OC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid (CAS 111501-63-4), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: 2-(1-cyclohexyl-3-methylbutoxy)carbonylbenzoic acid.
Chemical Property Profile of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid
Property Insights of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid
The XLogP value of 4.5366 indicates that 2-[(1-Cyclohexyl-3-methylbutoxy)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-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1-Cyclohexyl-3-methylbutoxy)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-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid?
The CAS number of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid is 111501-63-4.
What is the molecular formula of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid?
The molecular formula of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid is C19H26O4.
What is the molecular weight of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid?
The molecular weight of 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid is 318.18 g/mol.
Where can I buy 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid?
You can request a quote for 2-[(1-Cyclohexyl-3-methylbutoxy)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-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Cyclohexyl-3-methylbutoxy)carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.