2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid
TL;DR: 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid (CAS 69043-96-5) is a chemical compound with molecular formula C32H36O9 and molecular weight 564.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octan-2-yloxycarbonylbenzoic acid;2-(2-phenoxyethoxycarbonyl)benzoic acid
Also Known As: dl-Methyl 2-bromobutyrate, 2-Bromobutyric Acid Methyl Ester, 1,2-Benzenedicarboxylic acid, mixed isooctyl and 2-phenoxyethyl esters, 2-octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid, 2-[(2-phenoxyethoxy)carbonyl]benzoic acid- 2-[(octan-2-yloxy)carbonyl]benzoic acid(1:1)
| Molecular Formula | C32H36O9 |
|---|---|
| Molecular Weight | 564.24 g/mol |
| LogP | 6.52 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 564.23596 |
| Heavy Atoms | 41 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 69043-96-5 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O.C1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | BFQKMQSUZIZHSZ-UHFFFAOYSA-N |
Product Overview
2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid (CAS 69043-96-5), with molecular formula C32H36O9 and molecular weight 564.24 g/mol. IUPAC: 2-octan-2-yloxycarbonylbenzoic acid;2-(2-phenoxyethoxycarbonyl)benzoic acid.
Chemical Property Profile of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid
Property Insights of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid
The XLogP value of 6.52 indicates that 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid?
The CAS number of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid is 69043-96-5.
What is the molecular formula of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid?
The molecular formula of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid is C32H36O9.
What is the molecular weight of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid?
The molecular weight of 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid is 564.24 g/mol.
Where can I buy 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid?
You can request a quote for 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)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-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Octan-2-yloxycarbonylbenzoic acid; 2-(2-phenoxyethoxycarbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.