8R-1026
TL;DR: 8R-1026 (CAS 439112-33-1) is a chemical compound with molecular formula C24H24N6O3S and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 8R-1026, N-benzyl-2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-benzyl-2-[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-benzyl-2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C24H24N6O3S |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 2.8314 |
| Topological Polar Surface Area | 103.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 476.16306 |
| Heavy Atoms | 34 |
| Complexity | 1291.0735 |
Chemical Identifiers
| CAS Number | 439112-33-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 |
Product Overview
8R-1026 (CAS 439112-33-1), with molecular formula C24H24N6O3S and molecular weight 476.16 g/mol. IUPAC: N-benzyl-2-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 8R-1026
Property Insights of 8R-1026
The XLogP value of 2.8314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8R-1026. The TPSA of 103.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-1026. Following Lipinski's Rule of Five, 8R-1026 has 1 hydrogen bond donor(s) and 7 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 8R-1026?
The CAS number of 8R-1026 is 439112-33-1.
What is the molecular formula of 8R-1026?
The molecular formula of 8R-1026 is C24H24N6O3S.
What is the molecular weight of 8R-1026?
The molecular weight of 8R-1026 is 476.16 g/mol.
Where can I buy 8R-1026?
You can request a quote for 8R-1026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-1026?
Yes, KEHONG BIO provides custom synthesis services for 8R-1026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.