![2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid structure](/static/products/6851/68515-55-9.webp)
2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid
TL;DR: 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid (CAS 68515-55-9) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-methylundecoxycarbonyl)benzoic acid
Also Known As: 2-(10-methylundecoxycarbonyl)benzoic acid, 2-{[(10-methylundecyl)oxy]carbonyl}benzoic acid, 1,2-Benzenedicarboxylic acid, mono-C11-14-branched alkyl esters, C13-rich
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 68515-55-9 |
|---|---|
| SMILES | CC(C)CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | WMPOQIAJNPLCFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid (CAS 68515-55-9), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 2-(10-methylundecoxycarbonyl)benzoic acid.
Chemical Property Profile of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid
Property Insights of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid
The XLogP value of 7.2 indicates that 2-{[(10-Methylundecyl)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-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid?
The CAS number of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid is 68515-55-9.
What is the molecular formula of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid?
The molecular formula of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid is C20H30O4.
What is the molecular weight of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid?
The molecular weight of 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid is 334.21 g/mol.
Where can I buy 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid?
You can request a quote for 2-{[(10-Methylundecyl)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-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(10-Methylundecyl)oxy]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.