2,4,6-三氧代庚二酸
TL;DR: 2,4,6-三氧代庚二酸 (CAS 5617-54-9) is a chemical compound with molecular formula C7H6O7 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三氧代庚二酸
2,4,6-trioxoheptanedioic acid
Also Known As: 2,4,6-Trioxoheptanedioic acid, Acetonedioxalic acid, Xanthochelidonic acid, Heptanedioic acid,2,4,6-trioxo-, Heptanedioic acid, 2,4,6-trioxo-
| Molecular Formula | C7H6O7 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.01135 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 5617-54-9 |
|---|---|
| SMILES | C(C(=O)CC(=O)C(=O)O)C(=O)C(=O)O |
| InChIKey | VIZWSBKJYCBUCA-UHFFFAOYSA-N |
Product Overview
2,4,6-三氧代庚二酸 (CAS 5617-54-9), with molecular formula C7H6O7 and molecular weight 202.01 g/mol. IUPAC: 2,4,6-trioxoheptanedioic acid.
Chemical Property Profile of 2,4,6-三氧代庚二酸
Property Insights of 2,4,6-三氧代庚二酸
The XLogP value of -0.9 indicates that 2,4,6-三氧代庚二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-三氧代庚二酸. Following Lipinski's Rule of Five, 2,4,6-三氧代庚二酸 has 2 hydrogen bond donor(s) and 7 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 2,4,6-三氧代庚二酸?
The CAS number of 2,4,6-三氧代庚二酸 is 5617-54-9.
What is the molecular formula of 2,4,6-三氧代庚二酸?
The molecular formula of 2,4,6-三氧代庚二酸 is C7H6O7.
What is the molecular weight of 2,4,6-三氧代庚二酸?
The molecular weight of 2,4,6-三氧代庚二酸 is 202.01 g/mol.
Where can I buy 2,4,6-三氧代庚二酸?
You can request a quote for 2,4,6-三氧代庚二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三氧代庚二酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三氧代庚二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.