ChemDiv1_027688
TL;DR: ChemDiv1_027688 (CAS 341501-35-7) is a chemical compound with molecular formula C12H18N8O3 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylate
Also Known As: ChemDiv1_027688, ZERO/003083, Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((4-methylpiperazin-1-yl)methyl)-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carboxylate, methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylate
| Molecular Formula | C12H18N8O3 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.15018 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 341501-35-7 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)OC |
| InChIKey | XPSOUMRLTPTVAN-UHFFFAOYSA-N |
Product Overview
ChemDiv1_027688 (CAS 341501-35-7), with molecular formula C12H18N8O3 and molecular weight 322.15 g/mol. IUPAC: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_027688
Property Insights of ChemDiv1_027688
The XLogP value of -1.0 indicates that ChemDiv1_027688 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 ChemDiv1_027688. Following Lipinski's Rule of Five, ChemDiv1_027688 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 ChemDiv1_027688?
The CAS number of ChemDiv1_027688 is 341501-35-7.
What is the molecular formula of ChemDiv1_027688?
The molecular formula of ChemDiv1_027688 is C12H18N8O3.
What is the molecular weight of ChemDiv1_027688?
The molecular weight of ChemDiv1_027688 is 322.15 g/mol.
Where can I buy ChemDiv1_027688?
You can request a quote for ChemDiv1_027688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027688?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.