BAS 01578689
TL;DR: BAS 01578689 (CAS 332391-37-4) is a chemical compound with molecular formula C20H18N8O3 and molecular weight 418.15 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-ethoxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: BAS 01578689, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethoxyphenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-ethoxybenzylidene)-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
| Molecular Formula | C20H18N8O3 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 2.0621 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.15018 |
| Heavy Atoms | 31 |
| Complexity | 1198.9103 |
Chemical Identifiers
| CAS Number | 332391-37-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CC=C4 |
Product Overview
BAS 01578689 (CAS 332391-37-4), with molecular formula C20H18N8O3 and molecular weight 418.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of BAS 01578689
Property Insights of BAS 01578689
The XLogP value of 2.0621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01578689. The TPSA of 146.34 Ų indicates high polarity, suggesting BAS 01578689 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01578689 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 BAS 01578689?
The CAS number of BAS 01578689 is 332391-37-4.
What is the molecular formula of BAS 01578689?
The molecular formula of BAS 01578689 is C20H18N8O3.
What is the molecular weight of BAS 01578689?
The molecular weight of BAS 01578689 is 418.15 g/mol.
Where can I buy BAS 01578689?
You can request a quote for BAS 01578689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01578689?
Yes, KEHONG BIO provides custom synthesis services for BAS 01578689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.