1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide
TL;DR: 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide (CAS 361367-41-1) is a chemical compound with molecular formula C14H9N3O6S and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one
Also Known As: J1.617.430K, 2-benzyl-4,6-dinitro-1,2-benzisothiazol-3(2H)-one 1-oxide, 2-benzyl-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one, 2-benzyl-4,6-dinitro-1,2-benzothiazol-3(2H)-one 1-oxide, A2319/0097782
| Molecular Formula | C14H9N3O6S |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 2.1816 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0212 |
| Heavy Atoms | 24 |
| Complexity | 898.8828 |
Chemical Identifiers
| CAS Number | 361367-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2=O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide (CAS 361367-41-1), with molecular formula C14H9N3O6S and molecular weight 347.02 g/mol. IUPAC: 2-benzyl-4,6-dinitro-1-oxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide
Property Insights of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide
The XLogP value of 2.1816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide 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 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide?
The CAS number of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide is 361367-41-1.
What is the molecular formula of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide?
The molecular formula of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide is C14H9N3O6S.
What is the molecular weight of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide?
The molecular weight of 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide is 347.02 g/mol.
Where can I buy 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide?
You can request a quote for 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.