F0648-0638
TL;DR: F0648-0638 (CAS 852153-60-7) is a chemical compound with molecular formula C22H26N6O5S and molecular weight 486.17 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-(oxolan-2-ylmethyl)acetamide
Also Known As: F0648-0638, 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-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)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-[(oxolan-2-yl)methyl]acetamide
| Molecular Formula | C22H26N6O5S |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 1.0207 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.16855 |
| Heavy Atoms | 34 |
| Complexity | 1201.3224 |
Chemical Identifiers
| CAS Number | 852153-60-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3CCCO3)CC4=CC(=O)NC(=O)N4 |
Product Overview
F0648-0638 (CAS 852153-60-7), with molecular formula C22H26N6O5S and molecular weight 486.17 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of F0648-0638
Property Insights of F0648-0638
The XLogP value of 1.0207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0638. The TPSA of 143.99 Ų indicates high polarity, suggesting F0648-0638 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0638 has 3 hydrogen bond donor(s) and 8 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 F0648-0638?
The CAS number of F0648-0638 is 852153-60-7.
What is the molecular formula of F0648-0638?
The molecular formula of F0648-0638 is C22H26N6O5S.
What is the molecular weight of F0648-0638?
The molecular weight of F0648-0638 is 486.17 g/mol.
Where can I buy F0648-0638?
You can request a quote for F0648-0638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0638?
Yes, KEHONG BIO provides custom synthesis services for F0648-0638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.