![3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione structure](/static/products/956/956437-74-4.png)
3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione
TL;DR: 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione (CAS 956437-74-4) is a chemical compound with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
Also Known As: 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione, 3-(3,5-dimethyl-4-((methylamino)methyl)-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide, N-{[1-(1,1-dioxidotetrahydrothien-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-N-methylamine, 1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine, 1-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]-N-methylmethanamine
| Molecular Formula | C11H19N3O2S |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 0.57894 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.1198 |
| Heavy Atoms | 17 |
| Complexity | 519.064 |
Chemical Identifiers
| CAS Number | 956437-74-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNC |
Product Overview
3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione (CAS 956437-74-4), with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol. IUPAC: 1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine.
Chemical Property Profile of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione
Property Insights of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione
The XLogP value of 0.57894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione. Following Lipinski's Rule of Five, 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione has 1 hydrogen bond donor(s) and 4 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-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione?
The CAS number of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione is 956437-74-4.
What is the molecular formula of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione?
The molecular formula of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione is C11H19N3O2S.
What is the molecular weight of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione?
The molecular weight of 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione is 257.12 g/mol.
Where can I buy 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione?
You can request a quote for 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{3,5-dimethyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}-1lambda6-thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.