F0648-0406
TL;DR: F0648-0406 (CAS 852049-06-0) is a chemical compound with molecular formula C20H22N6O6S and molecular weight 474.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: F0648-0406, ethyl 2-(2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl 2-[2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]acetate
| Molecular Formula | C20H22N6O6S |
|---|---|
| Molecular Weight | 474.13 g/mol |
| LogP | 0.0147 |
| Topological Polar Surface Area | 161.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.13214 |
| Heavy Atoms | 33 |
| Complexity | 1221.8325 |
Chemical Identifiers
| CAS Number | 852049-06-0 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)OC)CC3=CC(=O)NC(=O)N3 |
Product Overview
F0648-0406 (CAS 852049-06-0), with molecular formula C20H22N6O6S and molecular weight 474.13 g/mol. IUPAC: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of F0648-0406
Property Insights of F0648-0406
The XLogP value of 0.0147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0406. The TPSA of 161.06 Ų indicates high polarity, suggesting F0648-0406 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0648-0406 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 F0648-0406?
The CAS number of F0648-0406 is 852049-06-0.
What is the molecular formula of F0648-0406?
The molecular formula of F0648-0406 is C20H22N6O6S.
What is the molecular weight of F0648-0406?
The molecular weight of F0648-0406 is 474.13 g/mol.
Where can I buy F0648-0406?
You can request a quote for F0648-0406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0406?
Yes, KEHONG BIO provides custom synthesis services for F0648-0406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.