N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 691369-36-5) is a chemical compound with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: ASN 13689603, N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide, 3-(benzo[d][1,3]dioxol-5-ylamino)benzo[d]isothiazole 1,1-dioxide, N-(1,3-benzodioxol-5-yl)-1,1-dioxo-1,2-benzothiazol-3-amine, 3-(1,3-BENZODIOXOL-5-YLAMINO)-1H-1,2-BENZISOTHIAZOLE-1,1-DIONE
| Molecular Formula | C14H10N2O4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 1.9763 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.03613 |
| Heavy Atoms | 21 |
| Complexity | 874.2928 |
Chemical Identifiers
| CAS Number | 691369-36-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43 |
Product Overview
N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 691369-36-5), with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 1.9763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide has 1 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 N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is 691369-36-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is C14H10N2O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is 302.04 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 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 N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.