allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 311787-20-9) is a chemical compound with molecular formula C9H10N6O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carboxylate
Also Known As: ZERO/001927, BAS 01578585, allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate, prop-2-enyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carboxylate, allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1{H}-1,2,3-triazole-4-carboxylate
| Molecular Formula | C9H10N6O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | -0.11628 |
| Topological Polar Surface Area | 121.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.08144 |
| Heavy Atoms | 18 |
| Complexity | 586.89233 |
Chemical Identifiers
| CAS Number | 311787-20-9 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)OCC=C |
Product Overview
allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 311787-20-9), with molecular formula C9H10N6O3 and molecular weight 250.08 g/mol. IUPAC: prop-2-enyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazole-4-carboxylate.
Chemical Property Profile of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of -0.11628 indicates that allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.95 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 8 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 allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is 311787-20-9.
What is the molecular formula of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is C9H10N6O3.
What is the molecular weight of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate is 250.08 g/mol.
Where can I buy allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.