BRD-K63376636-001-01-3
TL;DR: BRD-K63376636-001-01-3 (CAS 896854-78-7) is a chemical compound with molecular formula C19H18N8O3S and molecular weight 438.12 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-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
Also Known As: BRD-K63376636-001-01-3, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-(thiophen-2-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide
| Molecular Formula | C19H18N8O3S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.5137 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12225 |
| Heavy Atoms | 31 |
| Complexity | 1181.4521 |
Chemical Identifiers
| CAS Number | 896854-78-7 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CS4 |
Product Overview
BRD-K63376636-001-01-3 (CAS 896854-78-7), with molecular formula C19H18N8O3S and molecular weight 438.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of BRD-K63376636-001-01-3
Property Insights of BRD-K63376636-001-01-3
The XLogP value of 2.5137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K63376636-001-01-3. The TPSA of 146.34 Ų indicates high polarity, suggesting BRD-K63376636-001-01-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-K63376636-001-01-3 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-K63376636-001-01-3?
The CAS number of BRD-K63376636-001-01-3 is 896854-78-7.
What is the molecular formula of BRD-K63376636-001-01-3?
The molecular formula of BRD-K63376636-001-01-3 is C19H18N8O3S.
What is the molecular weight of BRD-K63376636-001-01-3?
The molecular weight of BRD-K63376636-001-01-3 is 438.12 g/mol.
Where can I buy BRD-K63376636-001-01-3?
You can request a quote for BRD-K63376636-001-01-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K63376636-001-01-3?
Yes, KEHONG BIO provides custom synthesis services for BRD-K63376636-001-01-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.