N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
TL;DR: N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CAS 432520-56-4) is a chemical compound with molecular formula C14H21NO4S2 and molecular weight 331.0912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Also Known As: BAS 03447028, AB00120453-01, N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide, N-(2-(tert-butylthio)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide, N-[2-(tert-butylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Technical Specifications
| Molecular Formula | C14H21NO4S2 |
| Molecular Weight | 331.0912 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0912 Da |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
| SMILES | CC(C)(C)SCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2 |
| InChIKey | KNQBKUZGSKKNHO-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Property Insights of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide. Following Lipinski's Rule of Five, N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The CAS number of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is 432520-56-4.
What is the molecular formula of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The molecular formula of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is C14H21NO4S2.
What is the molecular weight of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The molecular weight of N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is 331.0912 g/mol.
Where can I buy N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
You can request a quote for N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
Yes, CoreyChem provides custom synthesis services for N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.