![3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide structure](/static/products/5769/5769-68-6.webp)
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide
TL;DR: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide (CAS 5769-68-6) is a chemical compound with molecular formula C20H23Cl2N9O3 and molecular weight 507.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-4-[(azepan-1-yl)methyl]-N'-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1H-1,2,3-triazole-5-carbohydrazide
| Molecular Formula | C20H23Cl2N9O3 |
|---|---|
| Molecular Weight | 507.13 g/mol |
| LogP | 2.6878 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.1301 |
| Heavy Atoms | 34 |
| Complexity | 1186.1653 |
Chemical Identifiers
| CAS Number | 5769-68-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)Cl)C=NNC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCCCCC4 |
Product Overview
3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide (CAS 5769-68-6), with molecular formula C20H23Cl2N9O3 and molecular weight 507.13 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide
Property Insights of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide
The XLogP value of 2.6878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide. The TPSA of 149.58 Ų indicates high polarity, suggesting 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide?
The CAS number of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide is 5769-68-6.
What is the molecular formula of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide?
The molecular formula of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide is C20H23Cl2N9O3.
What is the molecular weight of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide?
The molecular weight of 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide is 507.13 g/mol.
Where can I buy 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide?
You can request a quote for 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.