F0648-0797
TL;DR: F0648-0797 (CAS 852154-63-3) is a chemical compound with molecular formula C17H18ClN5O2S and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0797, 6-((5-(sec-butylthio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[5-(butan-2-ylsulfanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C17H18ClN5O2S |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 2.7787 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.08698 |
| Heavy Atoms | 26 |
| Complexity | 980.733 |
Chemical Identifiers
| CAS Number | 852154-63-3 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 |
Product Overview
F0648-0797 (CAS 852154-63-3), with molecular formula C17H18ClN5O2S and molecular weight 391.09 g/mol. IUPAC: 6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0797
Property Insights of F0648-0797
The XLogP value of 2.7787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0797. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0797. Following Lipinski's Rule of Five, F0648-0797 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 F0648-0797?
The CAS number of F0648-0797 is 852154-63-3.
What is the molecular formula of F0648-0797?
The molecular formula of F0648-0797 is C17H18ClN5O2S.
What is the molecular weight of F0648-0797?
The molecular weight of F0648-0797 is 391.09 g/mol.
Where can I buy F0648-0797?
You can request a quote for F0648-0797 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0797?
Yes, KEHONG BIO provides custom synthesis services for F0648-0797 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.