2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one
TL;DR: 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one (CAS 350700-06-0) 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.
2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3-one
Also Known As: J2.395.067G, 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one, 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3-one, 6-nitro-2-methyl-4-phenoxy-1,2-benzisothiazol-3(2H)-one, A2074/0087202
| Molecular Formula | C14H10N2O4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.03613 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 350700-06-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(C=C(C=C2S1)[N+](=O)[O-])OC3=CC=CC=C3 |
| InChIKey | IPHVDTBFEZIDOQ-UHFFFAOYSA-N |
Product Overview
2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one (CAS 350700-06-0), with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol. IUPAC: 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one
Property Insights of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one. Following Lipinski's Rule of Five, 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-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-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one?
The CAS number of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one is 350700-06-0.
What is the molecular formula of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one?
The molecular formula of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one is C14H10N2O4S.
What is the molecular weight of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one?
The molecular weight of 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one is 302.04 g/mol.
Where can I buy 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one?
You can request a quote for 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-6-nitro-4-phenoxy-1,2-benzothiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.