F0648-0898
TL;DR: F0648-0898 (CAS 852155-07-8) is a chemical compound with molecular formula C16H14ClN5O4S and molecular weight 407.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0648-0898, methyl 2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-{[4-(4-chlorophenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C16H14ClN5O4S |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 1.1532 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.0455 |
| Heavy Atoms | 27 |
| Complexity | 1045.1549 |
Chemical Identifiers
| CAS Number | 852155-07-8 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 |
Product Overview
F0648-0898 (CAS 852155-07-8), with molecular formula C16H14ClN5O4S and molecular weight 407.05 g/mol. IUPAC: methyl 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0648-0898
Property Insights of F0648-0898
The XLogP value of 1.1532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0898. The TPSA of 122.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0898. Following Lipinski's Rule of Five, F0648-0898 has 2 hydrogen bond donor(s) and 7 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 F0648-0898?
The CAS number of F0648-0898 is 852155-07-8.
What is the molecular formula of F0648-0898?
The molecular formula of F0648-0898 is C16H14ClN5O4S.
What is the molecular weight of F0648-0898?
The molecular weight of F0648-0898 is 407.05 g/mol.
Where can I buy F0648-0898?
You can request a quote for F0648-0898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0898?
Yes, KEHONG BIO provides custom synthesis services for F0648-0898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.