7P-647S
TL;DR: 7P-647S (CAS 478077-64-4) is a chemical compound with molecular formula C25H26ClN5OS and molecular weight 479.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-(4-chlorophenyl)pyridazin-4-one
Also Known As: 7P-647S, 3-(5-{[4-(tert-butyl)benzyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorophenyl)-4(1H)-pyridazinone, 3-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-chlorophenyl)-1,4-dihydropyridazin-4-one, 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-(4-chlorophenyl)pyridazin-4-one
| Molecular Formula | C25H26ClN5OS |
|---|---|
| Molecular Weight | 479.15 g/mol |
| LogP | 5.7541 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.15466 |
| Heavy Atoms | 33 |
| Complexity | 1304.6245 |
Chemical Identifiers
| CAS Number | 478077-64-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=NN(C=CC3=O)C4=CC=C(C=C4)Cl |
Product Overview
7P-647S (CAS 478077-64-4), with molecular formula C25H26ClN5OS and molecular weight 479.15 g/mol. IUPAC: 3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-1-(4-chlorophenyl)pyridazin-4-one.
Chemical Property Profile of 7P-647S
Property Insights of 7P-647S
The XLogP value of 5.7541 indicates that 7P-647S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7P-647S. Following Lipinski's Rule of Five, 7P-647S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7P-647S?
The CAS number of 7P-647S is 478077-64-4.
What is the molecular formula of 7P-647S?
The molecular formula of 7P-647S is C25H26ClN5OS.
What is the molecular weight of 7P-647S?
The molecular weight of 7P-647S is 479.15 g/mol.
Where can I buy 7P-647S?
You can request a quote for 7P-647S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7P-647S?
Yes, KEHONG BIO provides custom synthesis services for 7P-647S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.