7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
TL;DR: 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS 4666-80-2) is a chemical compound with molecular formula C10H8O6 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Also Known As: NCIOpen2_006973, 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid, 7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid, 1,3,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 7-CARBOXY-6-HYDROXY-5-OXO-, 2-[7-(dihydroxymethylidene)-5,6-dioxocyclohepta-1,3-dien-1-yl]acetic acid
| Molecular Formula | C10H8O6 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.03209 |
| Heavy Atoms | 16 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 4666-80-2 |
|---|---|
| SMILES | C1=CC(=O)C(=C(C(=C1)CC(=O)O)C(=O)O)O |
| InChIKey | GROJNADPOMHDCI-UHFFFAOYSA-N |
Product Overview
7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid (CAS 4666-80-2), with molecular formula C10H8O6 and molecular weight 224.03 g/mol. IUPAC: 7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
Chemical Property Profile of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
Property Insights of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid. Following Lipinski's Rule of Five, 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid has 3 hydrogen bond donor(s) and 6 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 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid?
The CAS number of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is 4666-80-2.
What is the molecular formula of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid?
The molecular formula of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is C10H8O6.
What is the molecular weight of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid?
The molecular weight of 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid is 224.03 g/mol.
Where can I buy 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid?
You can request a quote for 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.