2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
TL;DR: 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (CAS 91190-78-2) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-1,2-benzothiazole 1,1-dioxide
Also Known As: 2,3,3-trimethyl-1,2-benzothiazole 1,1-dioxide, AP-520/40788848, 2,3-Dihydro-2,3,3-trimethyl-1,2-benzisothiazole 1,1-dioxide, 2,3,3-trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide, 8,9,9-trimethyl-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-triene 7,7-dioxide
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.5558 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 476.6503 |
Chemical Identifiers
| CAS Number | 91190-78-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2S(=O)(=O)N1C)C |
Product Overview
2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide (CAS 91190-78-2), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 2,3,3-trimethyl-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
Property Insights of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
The XLogP value of 1.5558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 37.38 Ų, 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide has 0 hydrogen bond donor(s) and 2 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 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The CAS number of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is 91190-78-2.
What is the molecular formula of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The molecular formula of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is C10H13NO2S.
What is the molecular weight of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
The molecular weight of 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide is 211.07 g/mol.
Where can I buy 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
You can request a quote for 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-Trimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.