F0648-0220
TL;DR: F0648-0220 (CAS 852047-99-5) is a chemical compound with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0648-0220, methyl 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, Methyl ({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 0.80822 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 1056.9181 |
Chemical Identifiers
| CAS Number | 852047-99-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)OC)CC3=CC(=O)NC(=O)N3 |
Product Overview
F0648-0220 (CAS 852047-99-5), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0648-0220
Property Insights of F0648-0220
The XLogP value of 0.80822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0220. The TPSA of 122.73 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0220. Following Lipinski's Rule of Five, F0648-0220 has 2 hydrogen bond donor(s) and 7 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 F0648-0220?
The CAS number of F0648-0220 is 852047-99-5.
What is the molecular formula of F0648-0220?
The molecular formula of F0648-0220 is C17H17N5O4S.
What is the molecular weight of F0648-0220?
The molecular weight of F0648-0220 is 387.10 g/mol.
Where can I buy F0648-0220?
You can request a quote for F0648-0220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0220?
Yes, KEHONG BIO provides custom synthesis services for F0648-0220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.