ChemDiv1_023519
TL;DR: ChemDiv1_023519 (CAS 311314-85-9) is a chemical compound with molecular formula C13H19N7O3 and molecular weight 321.15 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-(piperidin-1-ylmethyl)triazole-4-carboxylate
Also Known As: ChemDiv1_023519, ZERO/001911, Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-piperidinylmethyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)triazole-4-carboxylate
| Molecular Formula | C13H19N7O3 |
|---|---|
| Molecular Weight | 321.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.15494 |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 311314-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCC3 |
| InChIKey | HYPBVCMGNXWGBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_023519 (CAS 311314-85-9), with molecular formula C13H19N7O3 and molecular weight 321.15 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(piperidin-1-ylmethyl)triazole-4-carboxylate.
Chemical Property Profile of ChemDiv1_023519
Property Insights of ChemDiv1_023519
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023519. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023519. Following Lipinski's Rule of Five, ChemDiv1_023519 has 1 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_023519?
The CAS number of ChemDiv1_023519 is 311314-85-9.
What is the molecular formula of ChemDiv1_023519?
The molecular formula of ChemDiv1_023519 is C13H19N7O3.
What is the molecular weight of ChemDiv1_023519?
The molecular weight of ChemDiv1_023519 is 321.15 g/mol.
Where can I buy ChemDiv1_023519?
You can request a quote for ChemDiv1_023519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023519?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.