F0648-0095
TL;DR: F0648-0095 (CAS 852047-18-8) is a chemical compound with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0095, 6-((5-((2,5-dimethylbenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-[(5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H21N5O2S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | 3.14384 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1416 |
| Heavy Atoms | 30 |
| Complexity | 1262.6284 |
Chemical Identifiers
| CAS Number | 852047-18-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0095 (CAS 852047-18-8), with molecular formula C22H21N5O2S and molecular weight 419.14 g/mol. IUPAC: 6-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0095
Property Insights of F0648-0095
The XLogP value of 3.14384 indicates that F0648-0095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0095. Following Lipinski's Rule of Five, F0648-0095 has 2 hydrogen bond donor(s) and 5 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 F0648-0095?
The CAS number of F0648-0095 is 852047-18-8.
What is the molecular formula of F0648-0095?
The molecular formula of F0648-0095 is C22H21N5O2S.
What is the molecular weight of F0648-0095?
The molecular weight of F0648-0095 is 419.14 g/mol.
Where can I buy F0648-0095?
You can request a quote for F0648-0095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0095?
Yes, KEHONG BIO provides custom synthesis services for F0648-0095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.