3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y
TL;DR: 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y (CAS 5242-22-8) is a chemical compound with molecular formula C12H16N4O2S4 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-yl]-2-sulfanylidene-1,3-thiazinan-4-one
Also Known As: 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y, 3,3'-(Piperazine-1,4-diyl)bis(2-sulfanylidene-1,3-thiazinan-4-one), 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-yl]-2-sulfanylidene-1,3-thiazinan-4-one
| Molecular Formula | C12H16N4O2S4 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.01562 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 5242-22-8 |
|---|---|
| SMILES | C1CSC(=S)N(C1=O)N2CCN(CC2)N3C(=O)CCSC3=S |
| InChIKey | LSPMFVKVCNCERH-UHFFFAOYSA-N |
Product Overview
3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y (CAS 5242-22-8), with molecular formula C12H16N4O2S4 and molecular weight 376.02 g/mol. IUPAC: 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-yl]-2-sulfanylidene-1,3-thiazinan-4-one.
Chemical Property Profile of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y
Property Insights of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y. The TPSA of 162.0 Ų indicates high polarity, suggesting 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y has 0 hydrogen bond donor(s) and 8 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 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y?
The CAS number of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y is 5242-22-8.
What is the molecular formula of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y?
The molecular formula of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y is C12H16N4O2S4.
What is the molecular weight of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y?
The molecular weight of 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y is 376.02 g/mol.
Where can I buy 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y?
You can request a quote for 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-oxo-2-sulfanylidene-1,3-thiazinan-3-yl)piperazin-1-y and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.