3-(Carboxymethyl)-4-oxoheptanedioic acid
TL;DR: 3-(Carboxymethyl)-4-oxoheptanedioic acid (CAS 687599-54-8) is a chemical compound with molecular formula C9H12O7 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethyl)-4-oxoheptanedioic acid
Also Known As: 3-(carboxymethyl)-4-oxoheptanedioic acid, 3-(carboxymethyl)-4-oxo-heptanedioic Acid, AB01322339-02
| Molecular Formula | C9H12O7 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | -0.0141 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 232.0583 |
| Heavy Atoms | 16 |
| Complexity | 290.97937 |
Chemical Identifiers
| CAS Number | 687599-54-8 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)C(CC(=O)O)CC(=O)O |
Product Overview
3-(Carboxymethyl)-4-oxoheptanedioic acid (CAS 687599-54-8), with molecular formula C9H12O7 and molecular weight 232.06 g/mol. IUPAC: 3-(carboxymethyl)-4-oxoheptanedioic acid.
Chemical Property Profile of 3-(Carboxymethyl)-4-oxoheptanedioic acid
Property Insights of 3-(Carboxymethyl)-4-oxoheptanedioic acid
The XLogP value of -0.0141 indicates that 3-(Carboxymethyl)-4-oxoheptanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Carboxymethyl)-4-oxoheptanedioic acid. Following Lipinski's Rule of Five, 3-(Carboxymethyl)-4-oxoheptanedioic acid has 3 hydrogen bond donor(s) and 4 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)-4-oxoheptanedioic acid?
The CAS number of 3-(Carboxymethyl)-4-oxoheptanedioic acid is 687599-54-8.
What is the molecular formula of 3-(Carboxymethyl)-4-oxoheptanedioic acid?
The molecular formula of 3-(Carboxymethyl)-4-oxoheptanedioic acid is C9H12O7.
What is the molecular weight of 3-(Carboxymethyl)-4-oxoheptanedioic acid?
The molecular weight of 3-(Carboxymethyl)-4-oxoheptanedioic acid is 232.06 g/mol.
Where can I buy 3-(Carboxymethyl)-4-oxoheptanedioic acid?
You can request a quote for 3-(Carboxymethyl)-4-oxoheptanedioic 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)-4-oxoheptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxymethyl)-4-oxoheptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.