9R-1004
TL;DR: 9R-1004 (CAS 692738-18-4) is a chemical compound with molecular formula C26H29N5O2S and molecular weight 475.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one
Also Known As: 9R-1004, 6-[(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-3(2H)-pyridazinone, 6-[(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methoxy]-2-phenyl-2,3-dihydropyridazin-3-one, 6-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one
| Molecular Formula | C26H29N5O2S |
|---|---|
| Molecular Weight | 475.20 g/mol |
| LogP | 5.0127 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.2042 |
| Heavy Atoms | 34 |
| Complexity | 1291.5182 |
Chemical Identifiers
| CAS Number | 692738-18-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 |
Product Overview
9R-1004 (CAS 692738-18-4), with molecular formula C26H29N5O2S and molecular weight 475.20 g/mol. IUPAC: 6-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methoxy]-2-phenylpyridazin-3-one.
Chemical Property Profile of 9R-1004
Property Insights of 9R-1004
The XLogP value of 5.0127 indicates that 9R-1004 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 9R-1004. Following Lipinski's Rule of Five, 9R-1004 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9R-1004?
The CAS number of 9R-1004 is 692738-18-4.
What is the molecular formula of 9R-1004?
The molecular formula of 9R-1004 is C26H29N5O2S.
What is the molecular weight of 9R-1004?
The molecular weight of 9R-1004 is 475.20 g/mol.
Where can I buy 9R-1004?
You can request a quote for 9R-1004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-1004?
Yes, KEHONG BIO provides custom synthesis services for 9R-1004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.