2,3-Diphosphonobutanedioic acid
TL;DR: 2,3-Diphosphonobutanedioic acid (CAS 5693-11-8) is a chemical compound with molecular formula C4H8O10P2 and molecular weight 277.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphosphonobutanedioic acid
Also Known As: 2,3-diphosphonobutanedioic acid, 2,3-Diphosphonosuccinic acid, Butanedioic acid, 2,3-diphosphono-, NCI60_026505
| Molecular Formula | C4H8O10P2 |
|---|---|
| Molecular Weight | 277.96 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.95926 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 5693-11-8 |
|---|---|
| SMILES | C(C(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O |
| InChIKey | SQCGCSDAPBUORZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diphosphonobutanedioic acid (CAS 5693-11-8), with molecular formula C4H8O10P2 and molecular weight 277.96 g/mol. IUPAC: 2,3-diphosphonobutanedioic acid.
Chemical Property Profile of 2,3-Diphosphonobutanedioic acid
Property Insights of 2,3-Diphosphonobutanedioic acid
The XLogP value of -4.2 indicates that 2,3-Diphosphonobutanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting 2,3-Diphosphonobutanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Diphosphonobutanedioic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Diphosphonobutanedioic acid?
The CAS number of 2,3-Diphosphonobutanedioic acid is 5693-11-8.
What is the molecular formula of 2,3-Diphosphonobutanedioic acid?
The molecular formula of 2,3-Diphosphonobutanedioic acid is C4H8O10P2.
What is the molecular weight of 2,3-Diphosphonobutanedioic acid?
The molecular weight of 2,3-Diphosphonobutanedioic acid is 277.96 g/mol.
Where can I buy 2,3-Diphosphonobutanedioic acid?
You can request a quote for 2,3-Diphosphonobutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diphosphonobutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diphosphonobutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.