3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid
TL;DR: 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid (CAS 88144-80-3) is a chemical compound with molecular formula C16H20O7 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(carboxymethyl)-5-hydroxyhexoxy]carbonylbenzoic acid
Also Known As: 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid, 2-({[2-(carboxymethyl)-5-hydroxyhexyl]oxy}carbonyl)benzoic acid, 2-[2-(carboxymethyl)-5-hydroxyhexoxy]carbonylbenzoic acid, 3-[(2-carboxybenzoyl)oxymethyl]-6-hydroxy-heptanoic Acid
| Molecular Formula | C16H20O7 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.1209 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 88144-80-3 |
|---|---|
| SMILES | CC(CCC(CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O)O |
| InChIKey | OEUQWAKUYXUZAO-UHFFFAOYSA-N |
Product Overview
3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid (CAS 88144-80-3), with molecular formula C16H20O7 and molecular weight 324.12 g/mol. IUPAC: 2-[2-(carboxymethyl)-5-hydroxyhexoxy]carbonylbenzoic acid.
Chemical Property Profile of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid
Property Insights of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid. Following Lipinski's Rule of Five, 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid has 3 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 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid?
The CAS number of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid is 88144-80-3.
What is the molecular formula of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid?
The molecular formula of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid is C16H20O7.
What is the molecular weight of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid?
The molecular weight of 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid is 324.12 g/mol.
Where can I buy 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid?
You can request a quote for 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Carboxybenzoyl)oxymethyl)-6-hydroxyheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.