F0648-0644
TL;DR: F0648-0644 (CAS 852153-62-9) is a chemical compound with molecular formula C21H21N7O4S2 and molecular weight 499.11 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-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: F0648-0644, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 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-methylthiazol-2-yl)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-methyl-1,3-thiazol-2-yl)acetamide
| Molecular Formula | C21H21N7O4S2 |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 2.12912 |
| Topological Polar Surface Area | 147.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.10965 |
| Heavy Atoms | 34 |
| Complexity | 1377.2455 |
Chemical Identifiers
| CAS Number | 852153-62-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC(=CS3)C)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0644 (CAS 852153-62-9), with molecular formula C21H21N7O4S2 and molecular weight 499.11 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-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of F0648-0644
Property Insights of F0648-0644
The XLogP value of 2.12912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0644. The TPSA of 147.65 Ų indicates high polarity, suggesting F0648-0644 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0644 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 F0648-0644?
The CAS number of F0648-0644 is 852153-62-9.
What is the molecular formula of F0648-0644?
The molecular formula of F0648-0644 is C21H21N7O4S2.
What is the molecular weight of F0648-0644?
The molecular weight of F0648-0644 is 499.11 g/mol.
Where can I buy F0648-0644?
You can request a quote for F0648-0644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0644?
Yes, KEHONG BIO provides custom synthesis services for F0648-0644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.