ZERO/003023
TL;DR: ZERO/003023 (CAS 296791-97-4) is a chemical compound with molecular formula C14H16N8O3 and molecular weight 344.13 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-[(pyridin-2-ylmethylamino)methyl]triazole-4-carboxylate
Also Known As: ZERO/003023, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyridin-2-ylmethylamino)methyl]triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(2-pyridylmethyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyridin-2-ylmethyl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate, 1H-[1,2,3]Triazole-4-carboxylic acid, 1-(4-aminofurazan-3-yl)-5-[[(pyridin-2-ylmethyl)amino]methyl]-, ethyl ester
| Molecular Formula | C14H16N8O3 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.13452 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 296791-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CNCC3=CC=CC=N3 |
| InChIKey | JZDBDPANUSISMZ-UHFFFAOYSA-N |
Product Overview
ZERO/003023 (CAS 296791-97-4), with molecular formula C14H16N8O3 and molecular weight 344.13 g/mol. IUPAC: ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(pyridin-2-ylmethylamino)methyl]triazole-4-carboxylate.
Chemical Property Profile of ZERO/003023
Property Insights of ZERO/003023
The XLogP value of -0.4 indicates that ZERO/003023 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting ZERO/003023 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ZERO/003023 has 2 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 ZERO/003023?
The CAS number of ZERO/003023 is 296791-97-4.
What is the molecular formula of ZERO/003023?
The molecular formula of ZERO/003023 is C14H16N8O3.
What is the molecular weight of ZERO/003023?
The molecular weight of ZERO/003023 is 344.13 g/mol.
Where can I buy ZERO/003023?
You can request a quote for ZERO/003023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003023?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.