Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate
TL;DR: Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate (CAS 779306-75-1) is a chemical compound with molecular formula C8H13N5O3 and molecular weight 227.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)propanoate
Also Known As: ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate, Ethyl 3-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)propanoate
| Molecular Formula | C8H13N5O3 |
|---|---|
| Molecular Weight | 227.10 g/mol |
| LogP | -1.57 |
| Topological Polar Surface Area | 126.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.10184 |
| Heavy Atoms | 16 |
| Complexity | 441.7902 |
Chemical Identifiers
| CAS Number | 779306-75-1 |
|---|---|
| SMILES | CCOC(=O)CCC1=NN=C(N(C1=O)N)N |
Product Overview
Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate (CAS 779306-75-1), with molecular formula C8H13N5O3 and molecular weight 227.10 g/mol. IUPAC: ethyl 3-(3,4-diamino-5-oxo-1,2,4-triazin-6-yl)propanoate.
Chemical Property Profile of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate
Property Insights of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate
The XLogP value of -1.57 indicates that Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate 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 Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate?
The CAS number of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate is 779306-75-1.
What is the molecular formula of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate?
The molecular formula of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate is C8H13N5O3.
What is the molecular weight of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate?
The molecular weight of Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate is 227.10 g/mol.
Where can I buy Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate?
You can request a quote for Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3,4-diamino-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.