![2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione structure](/static/products/748/7487-41-4.png)
2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione
TL;DR: 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione (CAS 7487-41-4) is a chemical compound with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylanilino)methyl]isoindole-1,3-dione
Also Known As: Verbenylamin, 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione, BAS 00403041, 2-[(2,5-dimethylanilino)methyl]isoindole-1,3-dione, 2-[(2,5-dimethylanilino)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C17H16N2O2 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.1212 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 7487-41-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | DOMDOBKAHVGLJL-UHFFFAOYSA-N |
Product Overview
2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione (CAS 7487-41-4), with molecular formula C17H16N2O2 and molecular weight 280.12 g/mol. IUPAC: 2-[(2,5-dimethylanilino)methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione
Property Insights of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione
The XLogP value of 3.4 indicates that 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione has 1 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-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione?
The CAS number of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione is 7487-41-4.
What is the molecular formula of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione?
The molecular formula of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione is C17H16N2O2.
What is the molecular weight of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione?
The molecular weight of 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione is 280.12 g/mol.
Where can I buy 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione?
You can request a quote for 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethyl-phenylamino)-methyl]-isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.