3,3-Bis(carboxymethyl)pentanedioic acid
TL;DR: 3,3-Bis(carboxymethyl)pentanedioic acid (CAS 5693-87-8) is a chemical compound with molecular formula C9H12O8 and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(carboxymethyl)pentanedioic acid
Also Known As: Methantetraessigsaeure, methanetetraacetic acid, 3,3-bis(carboxymethyl)pentanedioic acid, 3,3-Bis(carboxymethyl)glutaric acid, J1.907.477C
| Molecular Formula | C9H12O8 |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.05322 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5693-87-8 |
|---|---|
| SMILES | C(C(=O)O)C(CC(=O)O)(CC(=O)O)CC(=O)O |
| InChIKey | TUXNBGWZANRPBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Bis(carboxymethyl)pentanedioic acid (CAS 5693-87-8), with molecular formula C9H12O8 and molecular weight 248.05 g/mol. IUPAC: 3,3-bis(carboxymethyl)pentanedioic acid.
Chemical Property Profile of 3,3-Bis(carboxymethyl)pentanedioic acid
Property Insights of 3,3-Bis(carboxymethyl)pentanedioic acid
The XLogP value of -1.7 indicates that 3,3-Bis(carboxymethyl)pentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 3,3-Bis(carboxymethyl)pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3-Bis(carboxymethyl)pentanedioic acid has 4 hydrogen bond donor(s) and 8 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 3,3-Bis(carboxymethyl)pentanedioic acid?
The CAS number of 3,3-Bis(carboxymethyl)pentanedioic acid is 5693-87-8.
What is the molecular formula of 3,3-Bis(carboxymethyl)pentanedioic acid?
The molecular formula of 3,3-Bis(carboxymethyl)pentanedioic acid is C9H12O8.
What is the molecular weight of 3,3-Bis(carboxymethyl)pentanedioic acid?
The molecular weight of 3,3-Bis(carboxymethyl)pentanedioic acid is 248.05 g/mol.
Where can I buy 3,3-Bis(carboxymethyl)pentanedioic acid?
You can request a quote for 3,3-Bis(carboxymethyl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(carboxymethyl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(carboxymethyl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.