1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide (CAS 502133-52-0) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-diazepan-1-yl)-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-(1,4-diazepan-1-yl)-1,2-benzothiazole 1,1-dioxide, 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide, 3-(1,4-Diazepan-1-yl)-1H-1lambda~6~,2-benzothiazole-1,1-dione, 9-(1,4-diazepan-1-yl)-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,8-tetraene 7,7-dioxide
| Molecular Formula | C12H15N3O2S |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 0.4308 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.0885 |
| Heavy Atoms | 18 |
| Complexity | 587.09503 |
Chemical Identifiers
| CAS Number | 502133-52-0 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide (CAS 502133-52-0), with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol. IUPAC: 3-(1,4-diazepan-1-yl)-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide
The XLogP value of 0.4308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide 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 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide is 502133-52-0.
What is the molecular formula of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide is C12H15N3O2S.
What is the molecular weight of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide is 265.09 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 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 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-(hexahydro-1H-1,4-diazepin-1-yl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.