BRD-K68519971-001-01-6
TL;DR: BRD-K68519971-001-01-6 (CAS 488094-40-2) is a chemical compound with molecular formula C17H18ClN9O3 and molecular weight 431.12 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)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
Also Known As: BRD-K68519971-001-01-6, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-chlorobenzylidene)-5-(morpholinomethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide
| Molecular Formula | C17H18ClN9O3 |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 0.482 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1221 |
| Heavy Atoms | 30 |
| Complexity | 1058.4337 |
Chemical Identifiers
| CAS Number | 488094-40-2 |
|---|---|
| SMILES | C1COCCN1CC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4Cl |
Product Overview
BRD-K68519971-001-01-6 (CAS 488094-40-2), with molecular formula C17H18ClN9O3 and molecular weight 431.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-(morpholin-4-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of BRD-K68519971-001-01-6
Property Insights of BRD-K68519971-001-01-6
The XLogP value of 0.482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K68519971-001-01-6. The TPSA of 149.58 Ų indicates high polarity, suggesting BRD-K68519971-001-01-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-K68519971-001-01-6 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-K68519971-001-01-6?
The CAS number of BRD-K68519971-001-01-6 is 488094-40-2.
What is the molecular formula of BRD-K68519971-001-01-6?
The molecular formula of BRD-K68519971-001-01-6 is C17H18ClN9O3.
What is the molecular weight of BRD-K68519971-001-01-6?
The molecular weight of BRD-K68519971-001-01-6 is 431.12 g/mol.
Where can I buy BRD-K68519971-001-01-6?
You can request a quote for BRD-K68519971-001-01-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K68519971-001-01-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-K68519971-001-01-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.