![3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide structure](/static/products/136/136701-86-5.png)
3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
TL;DR: 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide (CAS 136701-86-5) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide, A1-47427, 9-phenyl-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-triene 7,7-dioxide
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 2.0679 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 650.1295 |
Chemical Identifiers
| CAS Number | 136701-86-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=CC=CC=C3S(=O)(=O)N2 |
Product Overview
3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide (CAS 136701-86-5), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 3-phenyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
Property Insights of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
The XLogP value of 2.0679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide. With a topological polar surface area (TPSA) of 46.17 Ų, 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide has 1 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 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide?
The CAS number of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide is 136701-86-5.
What is the molecular formula of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide?
The molecular formula of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide is C13H11NO2S.
What is the molecular weight of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide?
The molecular weight of 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide is 245.05 g/mol.
Where can I buy 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide?
You can request a quote for 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 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 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.