F0648-0456
TL;DR: F0648-0456 (CAS 852152-77-3) is a chemical compound with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(4-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0456, 6-((5-(isopropylthio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(4-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(4-methoxyphenyl)-5-(propan-2-ylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C17H19N5O3S |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 1.7438 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.12085 |
| Heavy Atoms | 26 |
| Complexity | 975.9781 |
Chemical Identifiers
| CAS Number | 852152-77-3 |
|---|---|
| SMILES | CC(C)SC1=NN=C(N1C2=CC=C(C=C2)OC)CC3=CC(=O)NC(=O)N3 |
Product Overview
F0648-0456 (CAS 852152-77-3), with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol. IUPAC: 6-[[4-(4-methoxyphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of F0648-0456
Property Insights of F0648-0456
The XLogP value of 1.7438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0648-0456. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F0648-0456. Following Lipinski's Rule of Five, F0648-0456 has 2 hydrogen bond donor(s) and 6 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 F0648-0456?
The CAS number of F0648-0456 is 852152-77-3.
What is the molecular formula of F0648-0456?
The molecular formula of F0648-0456 is C17H19N5O3S.
What is the molecular weight of F0648-0456?
The molecular weight of F0648-0456 is 373.12 g/mol.
Where can I buy F0648-0456?
You can request a quote for F0648-0456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0648-0456?
Yes, KEHONG BIO provides custom synthesis services for F0648-0456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.