F0648-0043
TL;DR: F0648-0043 (CAS 852046-75-4) is a chemical compound with molecular formula C22H19ClN6O4S and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0043, N-(5-chloro-2-methoxyphenyl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-chloro-2-methoxyphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H19ClN6O4S |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 2.6275 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.0877 |
| Heavy Atoms | 34 |
| Complexity | 1405.0831 |
Chemical Identifiers
| CAS Number | 852046-75-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0043 (CAS 852046-75-4), with molecular formula C22H19ClN6O4S and molecular weight 498.09 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0648-0043
Property Insights of F0648-0043
The XLogP value of 2.6275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0043. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0043. Following Lipinski's Rule of Five, F0648-0043 has 3 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 F0648-0043?
The CAS number of F0648-0043 is 852046-75-4.
What is the molecular formula of F0648-0043?
The molecular formula of F0648-0043 is C22H19ClN6O4S.
What is the molecular weight of F0648-0043?
The molecular weight of F0648-0043 is 498.09 g/mol.
Where can I buy F0648-0043?
You can request a quote for F0648-0043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0043?
Yes, KEHONG BIO provides custom synthesis services for F0648-0043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.