![diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate structure](/static/products/6729/672949-45-0.webp)
diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate
TL;DR: diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate (CAS 672949-45-0) is a chemical compound with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(1,2,4-triazol-4-ylamino)methylidene]propanedioate
Also Known As: diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate, Diethyl 2-[(1,2,4-triazol-4-ylamino)methylidene]propanedioate, 1,3-diethyl 2-{[(4H-1,2,4-triazol-4-yl)amino]methylidene}propanedioate, 5R-0063, Diethyl 2-(4H-1,2,4-triazol-4-ylamino)methylenemalonate
| Molecular Formula | C10H14N4O4 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | -0.1683 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.1015 |
| Heavy Atoms | 18 |
| Complexity | 407.0959 |
Chemical Identifiers
| CAS Number | 672949-45-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNN1C=NN=C1)C(=O)OCC |
Product Overview
diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate (CAS 672949-45-0), with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol. IUPAC: diethyl 2-[(1,2,4-triazol-4-ylamino)methylidene]propanedioate.
Chemical Property Profile of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate
Property Insights of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate
The XLogP value of -0.1683 indicates that diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate. Following Lipinski's Rule of Five, diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate has 1 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 diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate?
The CAS number of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate is 672949-45-0.
What is the molecular formula of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate?
The molecular formula of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate is C10H14N4O4.
What is the molecular weight of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate?
The molecular weight of diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate is 254.10 g/mol.
Where can I buy diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate?
You can request a quote for diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[(4H-1,2,4-triazol-4-ylamino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.