F0648-0129
TL;DR: F0648-0129 (CAS 896677-18-2) is a chemical compound with molecular formula C26H27N7O3S and molecular weight 517.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(3-methylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0129, 6-((5-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(3-methylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(3-methylphenyl)-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C26H27N7O3S |
|---|---|
| Molecular Weight | 517.19 g/mol |
| LogP | 1.98402 |
| Topological Polar Surface Area | 119.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.18964 |
| Heavy Atoms | 37 |
| Complexity | 1476.0967 |
Chemical Identifiers
| CAS Number | 896677-18-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC(=O)NC(=O)N5 |
Product Overview
F0648-0129 (CAS 896677-18-2), with molecular formula C26H27N7O3S and molecular weight 517.19 g/mol. IUPAC: 6-[[4-(3-methylphenyl)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0129
Property Insights of F0648-0129
The XLogP value of 1.98402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0129. The TPSA of 119.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0129. Following Lipinski's Rule of Five, F0648-0129 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0648-0129?
The CAS number of F0648-0129 is 896677-18-2.
What is the molecular formula of F0648-0129?
The molecular formula of F0648-0129 is C26H27N7O3S.
What is the molecular weight of F0648-0129?
The molecular weight of F0648-0129 is 517.19 g/mol.
Where can I buy F0648-0129?
You can request a quote for F0648-0129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0129?
Yes, KEHONG BIO provides custom synthesis services for F0648-0129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.