5W-0801
TL;DR: 5W-0801 (CAS 866040-34-8) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5W-0801, 1,3-dimethyl-5-{[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene}-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-{[2-(4-phenylpiperazino)-1,3-thiazol-5-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.9035 |
| Topological Polar Surface Area | 77.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 953.0127 |
Chemical Identifiers
| CAS Number | 866040-34-8 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CN=C(S2)N3CCN(CC3)C4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
5W-0801 (CAS 866040-34-8), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 1,3-dimethyl-5-[[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5W-0801
Property Insights of 5W-0801
The XLogP value of 1.9035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5W-0801. The TPSA of 77.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5W-0801. Following Lipinski's Rule of Five, 5W-0801 has 0 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 5W-0801?
The CAS number of 5W-0801 is 866040-34-8.
What is the molecular formula of 5W-0801?
The molecular formula of 5W-0801 is C20H21N5O3S.
What is the molecular weight of 5W-0801?
The molecular weight of 5W-0801 is 411.14 g/mol.
Where can I buy 5W-0801?
You can request a quote for 5W-0801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5W-0801?
Yes, KEHONG BIO provides custom synthesis services for 5W-0801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.