F0648-0597
TL;DR: F0648-0597 (CAS 896677-23-9) is a chemical compound with molecular formula C25H26N6O4S and molecular weight 506.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: F0648-0597, 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethylphenyl)acetamide, 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
| Molecular Formula | C25H26N6O4S |
|---|---|
| Molecular Weight | 506.17 g/mol |
| LogP | 2.9266 |
| Topological Polar Surface Area | 134.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.1736 |
| Heavy Atoms | 36 |
| Complexity | 1412.9036 |
Chemical Identifiers
| CAS Number | 896677-23-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0597 (CAS 896677-23-9), with molecular formula C25H26N6O4S and molecular weight 506.17 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of F0648-0597
Property Insights of F0648-0597
The XLogP value of 2.9266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0597. The TPSA of 134.76 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0597. Following Lipinski's Rule of Five, F0648-0597 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0648-0597?
The CAS number of F0648-0597 is 896677-23-9.
What is the molecular formula of F0648-0597?
The molecular formula of F0648-0597 is C25H26N6O4S.
What is the molecular weight of F0648-0597?
The molecular weight of F0648-0597 is 506.17 g/mol.
Where can I buy F0648-0597?
You can request a quote for F0648-0597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0597?
Yes, KEHONG BIO provides custom synthesis services for F0648-0597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.