2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid
TL;DR: 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid (CAS 88144-75-6) is a chemical compound with molecular formula C16H18O7 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid
Also Known As: 2-(5-carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid, 2-{[(5-carboxy-2-ethyl-4-oxopentyl)oxy]carbonyl}benzoic acid, 4-(4-BROMOPHENYL)-2-METHYLNICOTINONITRILE, 1,2-Benzenedicarboxylic Acid Mono(5-carboxy-2-ethyl-4-oxopentyl) Ester, 5-[(2-carboxybenzoyl)oxymethyl]-3-oxo-heptanoic Acid
| Molecular Formula | C16H18O7 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.10526 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 88144-75-6 |
|---|---|
| SMILES | CCC(CC(=O)CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | SWWCOKPGMIEQMA-UHFFFAOYSA-N |
Product Overview
2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid (CAS 88144-75-6), with molecular formula C16H18O7 and molecular weight 322.11 g/mol. IUPAC: 2-(5-carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid.
Chemical Property Profile of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid
Property Insights of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid. Following Lipinski's Rule of Five, 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid has 2 hydrogen bond donor(s) and 7 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-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid?
The CAS number of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid is 88144-75-6.
What is the molecular formula of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid?
The molecular formula of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid is C16H18O7.
What is the molecular weight of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid?
The molecular weight of 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid is 322.11 g/mol.
Where can I buy 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid?
You can request a quote for 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Carboxy-2-ethyl-4-oxopentoxy)carbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.