3-(Carboxymethyl)-3-methylpentanedioic acid
TL;DR: 3-(Carboxymethyl)-3-methylpentanedioic acid (CAS 85963-71-9) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethyl)-3-methylpentanedioic acid
Also Known As: 1,1,1-Ethantriessigsaeure, 3-(carboxymethyl)-3-methylpentanedioic acid, Ethane-1,1,1-triacetic acid, 3-(Carboxymethyl)-3-methylglutaric acid, 3-(carboxymethyl)-3-methyl-pentanedioic acid
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 85963-71-9 |
|---|---|
| SMILES | CC(CC(=O)O)(CC(=O)O)CC(=O)O |
| InChIKey | YRNBVGFKFCKKIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Carboxymethyl)-3-methylpentanedioic acid (CAS 85963-71-9), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: 3-(carboxymethyl)-3-methylpentanedioic acid.
Chemical Property Profile of 3-(Carboxymethyl)-3-methylpentanedioic acid
Property Insights of 3-(Carboxymethyl)-3-methylpentanedioic acid
The XLogP value of -0.6 indicates that 3-(Carboxymethyl)-3-methylpentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxymethyl)-3-methylpentanedioic acid. Following Lipinski's Rule of Five, 3-(Carboxymethyl)-3-methylpentanedioic 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 3-(Carboxymethyl)-3-methylpentanedioic acid?
The CAS number of 3-(Carboxymethyl)-3-methylpentanedioic acid is 85963-71-9.
What is the molecular formula of 3-(Carboxymethyl)-3-methylpentanedioic acid?
The molecular formula of 3-(Carboxymethyl)-3-methylpentanedioic acid is C8H12O6.
What is the molecular weight of 3-(Carboxymethyl)-3-methylpentanedioic acid?
The molecular weight of 3-(Carboxymethyl)-3-methylpentanedioic acid is 204.06 g/mol.
Where can I buy 3-(Carboxymethyl)-3-methylpentanedioic acid?
You can request a quote for 3-(Carboxymethyl)-3-methylpentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Carboxymethyl)-3-methylpentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxymethyl)-3-methylpentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.