VU0494540-1
TL;DR: VU0494540-1 (CAS 868221-94-7) is a chemical compound with molecular formula C11H15N5S2 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine
Also Known As: VU0494540-1, AB00686522-01, F1806-0105, 4,6-dimethyl-2-({[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)pyrimidine, 4,6-dimethyl-2-(((4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine
| Molecular Formula | C11H15N5S2 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.23614 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.07687 |
| Heavy Atoms | 18 |
| Complexity | 532.11176 |
Chemical Identifiers
| CAS Number | 868221-94-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SC)C |
Product Overview
VU0494540-1 (CAS 868221-94-7), with molecular formula C11H15N5S2 and molecular weight 281.08 g/mol. IUPAC: 4,6-dimethyl-2-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]pyrimidine.
Chemical Property Profile of VU0494540-1
Property Insights of VU0494540-1
The XLogP value of 2.23614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494540-1. With a topological polar surface area (TPSA) of 56.49 Ų, VU0494540-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0494540-1 has 0 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 VU0494540-1?
The CAS number of VU0494540-1 is 868221-94-7.
What is the molecular formula of VU0494540-1?
The molecular formula of VU0494540-1 is C11H15N5S2.
What is the molecular weight of VU0494540-1?
The molecular weight of VU0494540-1 is 281.08 g/mol.
Where can I buy VU0494540-1?
You can request a quote for VU0494540-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494540-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494540-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.