4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
TL;DR: 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CAS 311792-47-9) is a chemical compound with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
Also Known As: 4-(4-methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole, 4-[(4-methylpiperidyl)sulfonyl]benzo[c]1,2,5-thiadiazole, 4-[(4-methyl-1-piperidinyl)sulfonyl]-2,1,3-benzothiadiazole, 4-[(4-methylpiperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole, 2,1,3-BENZOTHIADIAZOL-4-YL (4-METHYLPIPERIDINO) SULFONE
| Molecular Formula | C12H15N3O2S2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.06058 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 311792-47-9 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32 |
| InChIKey | KUSJYEWHAVIRFT-UHFFFAOYSA-N |
Product Overview
4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CAS 311792-47-9), with molecular formula C12H15N3O2S2 and molecular weight 297.06 g/mol. IUPAC: 4-(4-methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole.
Chemical Property Profile of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
Property Insights of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole has 0 hydrogen bond donor(s) and 6 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 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The CAS number of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole is 311792-47-9.
What is the molecular formula of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The molecular formula of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole is C12H15N3O2S2.
What is the molecular weight of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The molecular weight of 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole is 297.06 g/mol.
Where can I buy 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
You can request a quote for 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.