ChemDiv1_027769
TL;DR: ChemDiv1_027769 (CAS 296789-93-0) is a chemical compound with molecular formula C11H17N7O3 and molecular weight 295.14 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-[(propan-2-ylamino)methyl]triazole-4-carboxylate
Also Known As: ChemDiv1_027769, ZERO/003016, BAS 01578551, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((isopropylamino)methyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(isopropylamino)methyl]-1H-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H17N7O3 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.13928 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 296789-93-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CNC(C)C |
| InChIKey | KUFDNPNZOIOCNC-UHFFFAOYSA-N |
Product Overview
ChemDiv1_027769 (CAS 296789-93-0), with molecular formula C11H17N7O3 and molecular weight 295.14 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(propan-2-ylamino)methyl]triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_027769
Property Insights of ChemDiv1_027769
The XLogP value of -0.1 indicates that ChemDiv1_027769 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027769. Following Lipinski's Rule of Five, ChemDiv1_027769 has 2 hydrogen bond donor(s) and 9 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_027769?
The CAS number of ChemDiv1_027769 is 296789-93-0.
What is the molecular formula of ChemDiv1_027769?
The molecular formula of ChemDiv1_027769 is C11H17N7O3.
What is the molecular weight of ChemDiv1_027769?
The molecular weight of ChemDiv1_027769 is 295.14 g/mol.
Where can I buy ChemDiv1_027769?
You can request a quote for ChemDiv1_027769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027769?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.