F0648-0871
TL;DR: F0648-0871 (CAS 852154-94-0) is a chemical compound with molecular formula C18H15ClN8O3S2 and molecular weight 490.04 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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: F0648-0871, 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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 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-(5-METHYL-1,3,4-THIADIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C18H15ClN8O3S2 |
|---|---|
| Molecular Weight | 490.04 g/mol |
| LogP | 1.77882 |
| Topological Polar Surface Area | 151.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.0397 |
| Heavy Atoms | 32 |
| Complexity | 1347.6252 |
Chemical Identifiers
| CAS Number | 852154-94-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0871 (CAS 852154-94-0), with molecular formula C18H15ClN8O3S2 and molecular weight 490.04 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of F0648-0871
Property Insights of F0648-0871
The XLogP value of 1.77882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0871. The TPSA of 151.31 Ų indicates high polarity, suggesting F0648-0871 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0871 has 3 hydrogen bond donor(s) and 9 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 F0648-0871?
The CAS number of F0648-0871 is 852154-94-0.
What is the molecular formula of F0648-0871?
The molecular formula of F0648-0871 is C18H15ClN8O3S2.
What is the molecular weight of F0648-0871?
The molecular weight of F0648-0871 is 490.04 g/mol.
Where can I buy F0648-0871?
You can request a quote for F0648-0871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0871?
Yes, KEHONG BIO provides custom synthesis services for F0648-0871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.