BRD-K46347225-001-01-3
TL;DR: BRD-K46347225-001-01-3 (CAS 849019-79-0) is a chemical compound with molecular formula C19H12ClFN8O4 and molecular weight 470.07 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-(1,3-benzodioxol-5-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: BRD-K46347225-001-01-3, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]triazole-4-carboxamide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(2-chloro-6-fluorobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H12ClFN8O4 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 2.1846 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.0654 |
| Heavy Atoms | 33 |
| Complexity | 1382.1981 |
Chemical Identifiers
| CAS Number | 849019-79-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)N/N=C/C5=C(C=CC=C5Cl)F |
Product Overview
BRD-K46347225-001-01-3 (CAS 849019-79-0), with molecular formula C19H12ClFN8O4 and molecular weight 470.07 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of BRD-K46347225-001-01-3
Property Insights of BRD-K46347225-001-01-3
The XLogP value of 2.1846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K46347225-001-01-3. The TPSA of 155.57 Ų indicates high polarity, suggesting BRD-K46347225-001-01-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-K46347225-001-01-3 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 BRD-K46347225-001-01-3?
The CAS number of BRD-K46347225-001-01-3 is 849019-79-0.
What is the molecular formula of BRD-K46347225-001-01-3?
The molecular formula of BRD-K46347225-001-01-3 is C19H12ClFN8O4.
What is the molecular weight of BRD-K46347225-001-01-3?
The molecular weight of BRD-K46347225-001-01-3 is 470.07 g/mol.
Where can I buy BRD-K46347225-001-01-3?
You can request a quote for BRD-K46347225-001-01-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K46347225-001-01-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K46347225-001-01-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.