3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide
TL;DR: 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide (CAS 313230-88-5) is a chemical compound with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide
Also Known As: BIM-0017122.P001, 3-(2-methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide, 3-(2-methoxyphenoxy)-6-nitrobenzo[d]isothiazole 1,1-dioxide, 3-(2-methoxyphenoxy)-6-nitro-1H-1,2-benzisothiazole-1,1-dione, 3-(2-METHOXYPHENOXY)-6-NITRO-1??,2-BENZOTHIAZOLE-1,1-DIONE
| Molecular Formula | C14H10N2O6S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 2.1313 |
| Topological Polar Surface Area | 108.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.02597 |
| Heavy Atoms | 23 |
| Complexity | 936.0337 |
Chemical Identifiers
| CAS Number | 313230-88-5 |
|---|---|
| SMILES | COC1=CC=CC=C1OC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-] |
Product Overview
3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide (CAS 313230-88-5), with molecular formula C14H10N2O6S and molecular weight 334.03 g/mol. IUPAC: 3-(2-methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide
Property Insights of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide
The XLogP value of 2.1313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide. The TPSA of 108.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide has 0 hydrogen bond donor(s) and 6 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-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide?
The CAS number of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide is 313230-88-5.
What is the molecular formula of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide?
The molecular formula of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide is C14H10N2O6S.
What is the molecular weight of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide?
The molecular weight of 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide is 334.03 g/mol.
Where can I buy 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide?
You can request a quote for 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 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-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxyphenoxy)-6-nitro-1,2-benzothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.