BRD-K17938906-001-01-0
TL;DR: BRD-K17938906-001-01-0 (CAS 861146-66-9) is a chemical compound with molecular formula C20H18N8O2S and molecular weight 434.13 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)-benzylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: BRD-K17938906-001-01-0, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-N'-[(E)-phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-benzylidene-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-furazan-3-yl)-5-p-tolylsulfanylmethyl-1H-[1,2,3]triazole-4-carboxylic acid [1-phenyl-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C20H18N8O2S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 2.59712 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.12735 |
| Heavy Atoms | 31 |
| Complexity | 1201.6652 |
Chemical Identifiers
| CAS Number | 861146-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4 |
Product Overview
BRD-K17938906-001-01-0 (CAS 861146-66-9), with molecular formula C20H18N8O2S and molecular weight 434.13 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of BRD-K17938906-001-01-0
Property Insights of BRD-K17938906-001-01-0
The XLogP value of 2.59712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K17938906-001-01-0. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K17938906-001-01-0. Following Lipinski's Rule of Five, BRD-K17938906-001-01-0 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 BRD-K17938906-001-01-0?
The CAS number of BRD-K17938906-001-01-0 is 861146-66-9.
What is the molecular formula of BRD-K17938906-001-01-0?
The molecular formula of BRD-K17938906-001-01-0 is C20H18N8O2S.
What is the molecular weight of BRD-K17938906-001-01-0?
The molecular weight of BRD-K17938906-001-01-0 is 434.13 g/mol.
Where can I buy BRD-K17938906-001-01-0?
You can request a quote for BRD-K17938906-001-01-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K17938906-001-01-0?
Yes, KEHONG BIO provides custom synthesis services for BRD-K17938906-001-01-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.