1,2-Benzisothiazole, 3-methoxy-5-nitro-
TL;DR: 1,2-Benzisothiazole, 3-methoxy-5-nitro- (CAS 64099-26-9) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-nitro-1,2-benzothiazole
Also Known As: 3-methoxy-5-nitro-1,2-benzothiazole, 1,2-Benzisothiazole, 3-methoxy-5-nitro-, 3-Methoxy-5-nitro-1,2-benzisothiazole, 3-Methoxy-5-nitro-1,2-benzoisothiazole, BRN 4748261
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 64099-26-9 |
|---|---|
| SMILES | COC1=NSC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | LMEVWYJONLGKSE-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazole, 3-methoxy-5-nitro- (CAS 64099-26-9), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 3-methoxy-5-nitro-1,2-benzothiazole.
Chemical Property Profile of 1,2-Benzisothiazole, 3-methoxy-5-nitro-
Property Insights of 1,2-Benzisothiazole, 3-methoxy-5-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 3-methoxy-5-nitro-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 3-methoxy-5-nitro-. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-methoxy-5-nitro- 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 1,2-Benzisothiazole, 3-methoxy-5-nitro-?
The CAS number of 1,2-Benzisothiazole, 3-methoxy-5-nitro- is 64099-26-9.
What is the molecular formula of 1,2-Benzisothiazole, 3-methoxy-5-nitro-?
The molecular formula of 1,2-Benzisothiazole, 3-methoxy-5-nitro- is C8H6N2O3S.
What is the molecular weight of 1,2-Benzisothiazole, 3-methoxy-5-nitro-?
The molecular weight of 1,2-Benzisothiazole, 3-methoxy-5-nitro- is 210.01 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-methoxy-5-nitro-?
You can request a quote for 1,2-Benzisothiazole, 3-methoxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-methoxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-methoxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.