VU0494568-1
TL;DR: VU0494568-1 (CAS 893924-60-2) is a chemical compound with molecular formula C21H25N5OS and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: VU0494568-1, F1874-0924, 2-((1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone, 2-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
| Molecular Formula | C21H25N5OS |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 3.78294 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.17798 |
| Heavy Atoms | 28 |
| Complexity | 1007.1986 |
Chemical Identifiers
| CAS Number | 893924-60-2 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C)C |
Product Overview
VU0494568-1 (CAS 893924-60-2), with molecular formula C21H25N5OS and molecular weight 395.18 g/mol. IUPAC: 2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of VU0494568-1
Property Insights of VU0494568-1
The XLogP value of 3.78294 indicates that VU0494568-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494568-1. Following Lipinski's Rule of Five, VU0494568-1 has 0 hydrogen bond donor(s) and 5 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 VU0494568-1?
The CAS number of VU0494568-1 is 893924-60-2.
What is the molecular formula of VU0494568-1?
The molecular formula of VU0494568-1 is C21H25N5OS.
What is the molecular weight of VU0494568-1?
The molecular weight of VU0494568-1 is 395.18 g/mol.
Where can I buy VU0494568-1?
You can request a quote for VU0494568-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494568-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494568-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.