Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
TL;DR: Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate (CAS 306323-27-3) is a chemical compound with molecular formula C10H15N3O4 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate
Also Known As: butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate, butyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate, AS-871/12072060, butyl 3-(3,5-dihydroxy-1,2,4-triazin-6-yl)propanoate, butyl 3-(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)propanoate
| Molecular Formula | C10H15N3O4 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | -0.2659 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.10626 |
| Heavy Atoms | 17 |
| Complexity | 476.92963 |
Chemical Identifiers
| CAS Number | 306323-27-3 |
|---|---|
| SMILES | CCCCOC(=O)CCC1=NNC(=O)NC1=O |
Product Overview
Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate (CAS 306323-27-3), with molecular formula C10H15N3O4 and molecular weight 241.11 g/mol. IUPAC: butyl 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoate.
Chemical Property Profile of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
Property Insights of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
The XLogP value of -0.2659 indicates that Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate. Following Lipinski's Rule of Five, Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate has 2 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 Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The CAS number of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is 306323-27-3.
What is the molecular formula of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The molecular formula of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is C10H15N3O4.
What is the molecular weight of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
The molecular weight of Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate is 241.11 g/mol.
Where can I buy Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
You can request a quote for Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-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 Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.