F0648-0042
TL;DR: F0648-0042 (CAS 852046-74-3) is a chemical compound with molecular formula C22H19ClN6O3S and molecular weight 482.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0042, N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C22H19ClN6O3S |
|---|---|
| Molecular Weight | 482.09 g/mol |
| LogP | 2.92732 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.09277 |
| Heavy Atoms | 33 |
| Complexity | 1385.401 |
Chemical Identifiers
| CAS Number | 852046-74-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4)Cl |
Product Overview
F0648-0042 (CAS 852046-74-3), with molecular formula C22H19ClN6O3S and molecular weight 482.09 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F0648-0042
Property Insights of F0648-0042
The XLogP value of 2.92732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0042. The TPSA of 125.53 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0042. Following Lipinski's Rule of Five, F0648-0042 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 F0648-0042?
The CAS number of F0648-0042 is 852046-74-3.
What is the molecular formula of F0648-0042?
The molecular formula of F0648-0042 is C22H19ClN6O3S.
What is the molecular weight of F0648-0042?
The molecular weight of F0648-0042 is 482.09 g/mol.
Where can I buy F0648-0042?
You can request a quote for F0648-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0042?
Yes, KEHONG BIO provides custom synthesis services for F0648-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.