2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
TL;DR: 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one (CAS 4770-74-5) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3H-isoindol-1-one
Also Known As: 2-(4-nitrophenyl)-3H-isoindol-1-one, starbld0012402, 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one, 2-(4-Nitrophenyl)isoindolin-1-one, 2-(4-Nitrophenyl)-1-isoindolinone
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 4770-74-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RRPNWTLLRQHJPC-UHFFFAOYSA-N |
Product Overview
2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one (CAS 4770-74-5), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: 2-(4-nitrophenyl)-3H-isoindol-1-one.
Chemical Property Profile of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
Property Insights of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one has 0 hydrogen bond donor(s) and 3 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-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The CAS number of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is 4770-74-5.
What is the molecular formula of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The molecular formula of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is C14H10N2O3.
What is the molecular weight of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The molecular weight of 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is 254.07 g/mol.
Where can I buy 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
You can request a quote for 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.