![1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one structure](/static/products/6918/69181-02-8.webp)
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
TL;DR: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one (CAS 69181-02-8) is a chemical compound with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one, 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sul, 1-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl]-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one, 4(1H)-PYRIMIDINONE,1-[[4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYL]SULFONYL]-3-ETHYLTETRAHYDRO-2-THIOXO-
| Molecular Formula | C17H20N4O3S2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0977 |
| Heavy Atoms | 26 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 69181-02-8 |
|---|---|
| SMILES | CCN1C(=O)CCN(C1=S)S(=O)(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C |
| InChIKey | OBEJJZVPVSGSAY-UHFFFAOYSA-N |
Product Overview
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one (CAS 69181-02-8), with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol. IUPAC: 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
Property Insights of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one. Following Lipinski's Rule of Five, 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one 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 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one?
The CAS number of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one is 69181-02-8.
What is the molecular formula of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one?
The molecular formula of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one is C17H20N4O3S2.
What is the molecular weight of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one?
The molecular weight of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one is 392.10 g/mol.
Where can I buy 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one?
You can request a quote for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylidene-1,3-diazinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.