F0648-0813
TL;DR: F0648-0813 (CAS 852154-72-4) is a chemical compound with molecular formula C21H17ClN6O3S and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: F0648-0813, 2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-{[4-(4-chlorophenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C21H17ClN6O3S |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | 2.6189 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.07715 |
| Heavy Atoms | 32 |
| Complexity | 1320.2152 |
Chemical Identifiers
| CAS Number | 852154-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0813 (CAS 852154-72-4), with molecular formula C21H17ClN6O3S and molecular weight 468.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of F0648-0813
Property Insights of F0648-0813
The XLogP value of 2.6189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0813. The TPSA of 125.53 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0813. Following Lipinski's Rule of Five, F0648-0813 has 3 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 F0648-0813?
The CAS number of F0648-0813 is 852154-72-4.
What is the molecular formula of F0648-0813?
The molecular formula of F0648-0813 is C21H17ClN6O3S.
What is the molecular weight of F0648-0813?
The molecular weight of F0648-0813 is 468.08 g/mol.
Where can I buy F0648-0813?
You can request a quote for F0648-0813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0813?
Yes, KEHONG BIO provides custom synthesis services for F0648-0813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.