ZERO/003064
TL;DR: ZERO/003064 (CAS 332391-13-6) is a chemical compound with molecular formula C12H19N9O2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carbohydrazide
Also Known As: ZERO/003064, BAS 01578309, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carbohydrazide
| Molecular Formula | C12H19N9O2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | -0.788 |
| Topological Polar Surface Area | 154.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.16617 |
| Heavy Atoms | 23 |
| Complexity | 671.8794 |
Chemical Identifiers
| CAS Number | 332391-13-6 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN |
Product Overview
ZERO/003064 (CAS 332391-13-6), with molecular formula C12H19N9O2 and molecular weight 321.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)triazole-4-carbohydrazide.
Chemical Property Profile of ZERO/003064
Property Insights of ZERO/003064
The XLogP value of -0.788 indicates that ZERO/003064 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.01 Ų indicates high polarity, suggesting ZERO/003064 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ZERO/003064 has 3 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 ZERO/003064?
The CAS number of ZERO/003064 is 332391-13-6.
What is the molecular formula of ZERO/003064?
The molecular formula of ZERO/003064 is C12H19N9O2.
What is the molecular weight of ZERO/003064?
The molecular weight of ZERO/003064 is 321.17 g/mol.
Where can I buy ZERO/003064?
You can request a quote for ZERO/003064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/003064?
Yes, KEHONG BIO provides custom synthesis services for ZERO/003064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.