F0648-0896
TL;DR: F0648-0896 (CAS 852155-06-7) is a chemical compound with molecular formula C20H15ClN6O4S and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0896, 6-((4-(4-chlorophenyl)-5-((3-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H15ClN6O4S |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 3.0886 |
| Topological Polar Surface Area | 139.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0564 |
| Heavy Atoms | 32 |
| Complexity | 1367.968 |
Chemical Identifiers
| CAS Number | 852155-06-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0896 (CAS 852155-06-7), with molecular formula C20H15ClN6O4S and molecular weight 470.06 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0896
Property Insights of F0648-0896
The XLogP value of 3.0886 indicates that F0648-0896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0896. Following Lipinski's Rule of Five, F0648-0896 has 2 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 F0648-0896?
The CAS number of F0648-0896 is 852155-06-7.
What is the molecular formula of F0648-0896?
The molecular formula of F0648-0896 is C20H15ClN6O4S.
What is the molecular weight of F0648-0896?
The molecular weight of F0648-0896 is 470.06 g/mol.
Where can I buy F0648-0896?
You can request a quote for F0648-0896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0896?
Yes, KEHONG BIO provides custom synthesis services for F0648-0896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.