F0648-0329
TL;DR: F0648-0329 (CAS 852048-63-6) is a chemical compound with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(2,5-dimethylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0329, 6-((4-(2,5-dimethylphenyl)-5-((pyridin-3-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(2,5-dimethylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(2,5-dimethylphenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 2.53884 |
| Topological Polar Surface Area | 109.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 1264.5972 |
Chemical Identifiers
| CAS Number | 852048-63-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0329 (CAS 852048-63-6), with molecular formula C21H20N6O2S and molecular weight 420.14 g/mol. IUPAC: 6-[[4-(2,5-dimethylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0329
Property Insights of F0648-0329
The XLogP value of 2.53884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0329. The TPSA of 109.32 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0329. Following Lipinski's Rule of Five, F0648-0329 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 F0648-0329?
The CAS number of F0648-0329 is 852048-63-6.
What is the molecular formula of F0648-0329?
The molecular formula of F0648-0329 is C21H20N6O2S.
What is the molecular weight of F0648-0329?
The molecular weight of F0648-0329 is 420.14 g/mol.
Where can I buy F0648-0329?
You can request a quote for F0648-0329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0329?
Yes, KEHONG BIO provides custom synthesis services for F0648-0329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.