AI-020/10618021
TL;DR: AI-020/10618021 (CAS 488107-28-4) is a chemical compound with molecular formula C17H20N8O3 and molecular weight 384.17 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)-N-[(E)-(4-butoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: AI-020/10618021, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-butoxybenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-butoxybenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-butoxyphenyl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-butoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
| Molecular Formula | C17H20N8O3 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 1.48372 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.16583 |
| Heavy Atoms | 28 |
| Complexity | 961.20026 |
Chemical Identifiers
| CAS Number | 488107-28-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C |
Product Overview
AI-020/10618021 (CAS 488107-28-4), with molecular formula C17H20N8O3 and molecular weight 384.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-butoxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of AI-020/10618021
Property Insights of AI-020/10618021
The XLogP value of 1.48372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-020/10618021. The TPSA of 146.34 Ų indicates high polarity, suggesting AI-020/10618021 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AI-020/10618021 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 AI-020/10618021?
The CAS number of AI-020/10618021 is 488107-28-4.
What is the molecular formula of AI-020/10618021?
The molecular formula of AI-020/10618021 is C17H20N8O3.
What is the molecular weight of AI-020/10618021?
The molecular weight of AI-020/10618021 is 384.17 g/mol.
Where can I buy AI-020/10618021?
You can request a quote for AI-020/10618021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-020/10618021?
Yes, KEHONG BIO provides custom synthesis services for AI-020/10618021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.