A1873/0078782
TL;DR: A1873/0078782 (CAS 340018-84-0) is a chemical compound with molecular formula C21H22BrN9O3 and molecular weight 527.10 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)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-(diethylaminomethyl)triazole-4-carboxamide
Also Known As: A1873/0078782, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((5-(4-bromophenyl)furan-2-yl)methylene)-5-((diethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-[5-(4-BROMOPHENYL)FURAN-2-YL]METHYLIDENE]-5-[(DIETHYLAMINO)METHYL]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[5-(4-bromophenyl)furan-2-yl]methylidene}-5-[(diethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-(diethylaminomethyl)triazole-4-carboxamide
| Molecular Formula | C21H22BrN9O3 |
|---|---|
| Molecular Weight | 527.10 g/mol |
| LogP | 2.8607 |
| Topological Polar Surface Area | 153.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.1029 |
| Heavy Atoms | 34 |
| Complexity | 1289.0645 |
Chemical Identifiers
| CAS Number | 340018-84-0 |
|---|---|
| SMILES | CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Br |
Product Overview
A1873/0078782 (CAS 340018-84-0), with molecular formula C21H22BrN9O3 and molecular weight 527.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-5-(diethylaminomethyl)triazole-4-carboxamide.
Chemical Property Profile of A1873/0078782
Property Insights of A1873/0078782
The XLogP value of 2.8607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1873/0078782. The TPSA of 153.49 Ų indicates high polarity, suggesting A1873/0078782 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1873/0078782 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1873/0078782?
The CAS number of A1873/0078782 is 340018-84-0.
What is the molecular formula of A1873/0078782?
The molecular formula of A1873/0078782 is C21H22BrN9O3.
What is the molecular weight of A1873/0078782?
The molecular weight of A1873/0078782 is 527.10 g/mol.
Where can I buy A1873/0078782?
You can request a quote for A1873/0078782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1873/0078782?
Yes, KEHONG BIO provides custom synthesis services for A1873/0078782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.