![1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole structure](/static/products/299/299953-16-5.png)
1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole
TL;DR: 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole (CAS 299953-16-5) is a chemical compound with molecular formula C21H15N5O4 and molecular weight 401.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-N,3-N-bis(4-nitrophenyl)isoindole-1,3-diimine
Also Known As: 2-methyl-1-N,3-N-bis(4-nitrophenyl)isoindole-1,3-diimine, 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole, N,N'-(2-methyl-1H-isoindole-1,3(2H)-diylidene)bis(4-nitroaniline), (N,N'E,N,N'E)-N,N'-(2-methylisoindoline-1,3-diylidene)bis(4-nitroaniline)
| Molecular Formula | C21H15N5O4 |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 4.605 |
| Topological Polar Surface Area | 114.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1124 |
| Heavy Atoms | 30 |
| Complexity | 1106.3262 |
Chemical Identifiers
| CAS Number | 299953-16-5 |
|---|---|
| SMILES | CN1C(=NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C1=NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole (CAS 299953-16-5), with molecular formula C21H15N5O4 and molecular weight 401.11 g/mol. IUPAC: 2-methyl-1-N,3-N-bis(4-nitrophenyl)isoindole-1,3-diimine.
Chemical Property Profile of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole
Property Insights of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole
The XLogP value of 4.605 indicates that 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole. Following Lipinski's Rule of Five, 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole 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 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole?
The CAS number of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole is 299953-16-5.
What is the molecular formula of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole?
The molecular formula of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole is C21H15N5O4.
What is the molecular weight of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole?
The molecular weight of 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole is 401.11 g/mol.
Where can I buy 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole?
You can request a quote for 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-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 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 1,3-di[N-(4-nitrophenyl)]imino-2-methyl-2,3-dihydro-1h-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.