RefChem:341966
TL;DR: RefChem:341966 (CAS 311314-87-1) is a chemical compound with molecular formula C13H20N8O3 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylate
Also Known As: ChemDiv1_023563, ZERO/001913, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperazinyl)methyl]-1H-1,2,3-triazole-4-carboxylate, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperazin-1-yl)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C13H20N8O3 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.16583 |
| Heavy Atoms | 24 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 311314-87-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCN(CC3)C |
| InChIKey | ZHJGIGXKXTUMJK-UHFFFAOYSA-N |
Product Overview
RefChem:341966 (CAS 311314-87-1), with molecular formula C13H20N8O3 and molecular weight 336.17 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylate.
Chemical Property Profile of RefChem:341966
Property Insights of RefChem:341966
The XLogP value of -0.6 indicates that RefChem:341966 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 RefChem:341966. Following Lipinski's Rule of Five, RefChem:341966 has 1 hydrogen bond donor(s) and 10 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 RefChem:341966?
The CAS number of RefChem:341966 is 311314-87-1.
What is the molecular formula of RefChem:341966?
The molecular formula of RefChem:341966 is C13H20N8O3.
What is the molecular weight of RefChem:341966?
The molecular weight of RefChem:341966 is 336.17 g/mol.
Where can I buy RefChem:341966?
You can request a quote for RefChem:341966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.