2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide
TL;DR: 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide (CAS 215648-26-3) is a chemical compound with molecular formula C26H21NO10S2 and molecular weight 571.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylsulfanyl)-7,8-dimethoxy-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylic acid
Also Known As: 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide
| Molecular Formula | C26H21NO10S2 |
|---|---|
| Molecular Weight | 571.06 g/mol |
| LogP | 3.9112 |
| Topological Polar Surface Area | 130.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 571.06067 |
| Heavy Atoms | 39 |
| Complexity | 1650.608 |
Chemical Identifiers
| CAS Number | 215648-26-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=C(N(S2(=O)=O)CC3=CC4=C(C=C3)OCO4)C(=O)O)SC5=CC6=C(C=C5)OCO6)OC |
Product Overview
2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide (CAS 215648-26-3), with molecular formula C26H21NO10S2 and molecular weight 571.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylsulfanyl)-7,8-dimethoxy-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylic acid.
Chemical Property Profile of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide
Property Insights of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide
The XLogP value of 3.9112 indicates that 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide. Following Lipinski's Rule of Five, 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide?
The CAS number of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide is 215648-26-3.
What is the molecular formula of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide?
The molecular formula of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide is C26H21NO10S2.
What is the molecular weight of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide?
The molecular weight of 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide is 571.06 g/mol.
Where can I buy 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide?
You can request a quote for 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 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 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2-Benzothiazine-3-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzodioxol-5-ylthio)-7,8-dimethoxy-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.