F0648-0656
TL;DR: F0648-0656 (CAS 852153-70-9) is a chemical compound with molecular formula C22H20N6O5S and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0656, 6-((4-(4-ethoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-ethoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H20N6O5S |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 2.8339 |
| Topological Polar Surface Area | 148.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.12158 |
| Heavy Atoms | 34 |
| Complexity | 1381.2235 |
Chemical Identifiers
| CAS Number | 852153-70-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0656 (CAS 852153-70-9), with molecular formula C22H20N6O5S and molecular weight 480.12 g/mol. IUPAC: 6-[[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0656
Property Insights of F0648-0656
The XLogP value of 2.8339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0656. The TPSA of 148.8 Ų indicates high polarity, suggesting F0648-0656 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0656 has 2 hydrogen bond donor(s) and 8 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 F0648-0656?
The CAS number of F0648-0656 is 852153-70-9.
What is the molecular formula of F0648-0656?
The molecular formula of F0648-0656 is C22H20N6O5S.
What is the molecular weight of F0648-0656?
The molecular weight of F0648-0656 is 480.12 g/mol.
Where can I buy F0648-0656?
You can request a quote for F0648-0656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0656?
Yes, KEHONG BIO provides custom synthesis services for F0648-0656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.