Ketocanavanine
TL;DR: Ketocanavanine (CAS 17774-31-1) is a chemical compound with molecular formula C5H9N3O4 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diaminomethylideneamino)oxy-2-oxobutanoic acid
Also Known As: Ketocanavanine, alpha-Keto-gamma-guanidinooxybutyrate, 4-(diaminomethylideneamino)oxy-2-oxobutanoic acid, 4-(Carbamimidamidooxy)-2-oxobutanoic acid, Benzenebutanoic acid,4-formyl-,ethyl ester
| Molecular Formula | C5H9N3O4 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.05931 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 17774-31-1 |
|---|---|
| SMILES | C(CON=C(N)N)C(=O)C(=O)O |
| InChIKey | BGGQEGFCBYFXNC-UHFFFAOYSA-N |
Product Overview
Ketocanavanine (CAS 17774-31-1), with molecular formula C5H9N3O4 and molecular weight 175.06 g/mol. IUPAC: 4-(diaminomethylideneamino)oxy-2-oxobutanoic acid.
Chemical Property Profile of Ketocanavanine
Property Insights of Ketocanavanine
The XLogP value of -1.5 indicates that Ketocanavanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketocanavanine. Following Lipinski's Rule of Five, Ketocanavanine has 3 hydrogen bond donor(s) and 5 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 Ketocanavanine?
The CAS number of Ketocanavanine is 17774-31-1.
What is the molecular formula of Ketocanavanine?
The molecular formula of Ketocanavanine is C5H9N3O4.
What is the molecular weight of Ketocanavanine?
The molecular weight of Ketocanavanine is 175.06 g/mol.
Where can I buy Ketocanavanine?
You can request a quote for Ketocanavanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketocanavanine?
Yes, KEHONG BIO provides custom synthesis services for Ketocanavanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.