2,7-Dioxo-1,3-diazepane-4-carboxylic acid
TL;DR: 2,7-Dioxo-1,3-diazepane-4-carboxylic acid (CAS 70779-06-5) is a chemical compound with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dioxo-1,3-diazepane-4-carboxylic acid
Also Known As: 2,7-dioxo-1,3-diazepane-4-carboxylic acid, Ethyl glycodeoxycholate, 6-Methylnicotinic acid, Carglumic Acid Impurity C, Carglumic Acid Impurity 5
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -0.9408 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 237.70259 |
Chemical Identifiers
| CAS Number | 70779-06-5 |
|---|---|
| SMILES | C1CC(=O)NC(=O)NC1C(=O)O |
Product Overview
2,7-Dioxo-1,3-diazepane-4-carboxylic acid (CAS 70779-06-5), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: 2,7-dioxo-1,3-diazepane-4-carboxylic acid.
Chemical Property Profile of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid
Property Insights of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid
The XLogP value of -0.9408 indicates that 2,7-Dioxo-1,3-diazepane-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dioxo-1,3-diazepane-4-carboxylic acid. Following Lipinski's Rule of Five, 2,7-Dioxo-1,3-diazepane-4-carboxylic acid has 3 hydrogen bond donor(s) and 3 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 2,7-Dioxo-1,3-diazepane-4-carboxylic acid?
The CAS number of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid is 70779-06-5.
What is the molecular formula of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid?
The molecular formula of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid is C6H8N2O4.
What is the molecular weight of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid?
The molecular weight of 2,7-Dioxo-1,3-diazepane-4-carboxylic acid is 172.05 g/mol.
Where can I buy 2,7-Dioxo-1,3-diazepane-4-carboxylic acid?
You can request a quote for 2,7-Dioxo-1,3-diazepane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dioxo-1,3-diazepane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dioxo-1,3-diazepane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.