![2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole structure](/static/products/1161/116146-18-0.webp)
2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole
TL;DR: 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole (CAS 116146-18-0) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-5-nitro-1,3-dihydroisoindole
Also Known As: 5-Nitro-2-
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 116146-18-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | VXMZXCRFZXOIFG-UHFFFAOYSA-N |
Product Overview
2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole (CAS 116146-18-0), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-5-nitro-1,3-dihydroisoindole.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole
Property Insights of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole 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-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole?
The CAS number of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole is 116146-18-0.
What is the molecular formula of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole?
The molecular formula of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole is C15H14N2O4S.
What is the molecular weight of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole?
The molecular weight of 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole is 318.07 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole?
You can request a quote for 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfonyl]-5-nitro-2,3-dihydro-1h-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.