8R-1030
TL;DR: 8R-1030 (CAS 439112-35-3) is a chemical compound with molecular formula C22H20ClN5O2S and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one
Also Known As: 8R-1030, 6-({5-[(4-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methoxy)-2-phenyl-3(2H)-pyridazinone, 6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one, 6-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one
| Molecular Formula | C22H20ClN5O2S |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 4.3686 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.10263 |
| Heavy Atoms | 31 |
| Complexity | 1208.8108 |
Chemical Identifiers
| CAS Number | 439112-35-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 |
Product Overview
8R-1030 (CAS 439112-35-3), with molecular formula C22H20ClN5O2S and molecular weight 453.10 g/mol. IUPAC: 6-[[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one.
Chemical Property Profile of 8R-1030
Property Insights of 8R-1030
The XLogP value of 4.3686 indicates that 8R-1030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-1030. Following Lipinski's Rule of Five, 8R-1030 has 0 hydrogen bond donor(s) and 6 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-1030?
The CAS number of 8R-1030 is 439112-35-3.
What is the molecular formula of 8R-1030?
The molecular formula of 8R-1030 is C22H20ClN5O2S.
What is the molecular weight of 8R-1030?
The molecular weight of 8R-1030 is 453.10 g/mol.
Where can I buy 8R-1030?
You can request a quote for 8R-1030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-1030?
Yes, KEHONG BIO provides custom synthesis services for 8R-1030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.