2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 182162-97-6) is a chemical compound with molecular formula C15H11NO5S and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: BAS 13843329, 2-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-(benzo[d][1,3]dioxol-5-ylmethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-(1,3-benzodioxol-5-ylmethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-Benzo[1,3]dioxol-5-ylmethyl-1,1-dioxo-1,2-dihydro-1lambda6 -benzo[d]isothiazol-3-one
| Molecular Formula | C15H11NO5S |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 1.76 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.0358 |
| Heavy Atoms | 22 |
| Complexity | 890.55585 |
Chemical Identifiers
| CAS Number | 182162-97-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one (CAS 182162-97-6), with molecular formula C15H11NO5S and molecular weight 317.04 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is 182162-97-6.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is C15H11NO5S.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one is 317.04 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.