F0648-0650
TL;DR: F0648-0650 (CAS 852153-66-3) is a chemical compound with molecular formula C22H20FN5O3S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0650, 6-((4-(4-ethoxyphenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-ethoxyphenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H20FN5O3S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 3.0648 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.12708 |
| Heavy Atoms | 32 |
| Complexity | 1302.1484 |
Chemical Identifiers
| CAS Number | 852153-66-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0650 (CAS 852153-66-3), with molecular formula C22H20FN5O3S and molecular weight 453.13 g/mol. IUPAC: 6-[[4-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0650
Property Insights of F0648-0650
The XLogP value of 3.0648 indicates that F0648-0650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0650. Following Lipinski's Rule of Five, F0648-0650 has 2 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 F0648-0650?
The CAS number of F0648-0650 is 852153-66-3.
What is the molecular formula of F0648-0650?
The molecular formula of F0648-0650 is C22H20FN5O3S.
What is the molecular weight of F0648-0650?
The molecular weight of F0648-0650 is 453.13 g/mol.
Where can I buy F0648-0650?
You can request a quote for F0648-0650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0650?
Yes, KEHONG BIO provides custom synthesis services for F0648-0650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.