2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 352643-53-9) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: BIM-0022714.P001, 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione, 2-[(3-methylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, A2674/0113905, 2-{[(3-methylphenyl)amino]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 2.53962 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 517.0333 |
Chemical Identifiers
| CAS Number | 352643-53-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCN2C(=O)C3CCCCC3C2=O |
Product Overview
2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione (CAS 352643-53-9), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 2-[(3-methylanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.53962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-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-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione is 352643-53-9.
What is the molecular formula of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione is C16H20N2O2.
What is the molecular weight of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione is 272.15 g/mol.
Where can I buy 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-toluidinomethyl)hexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.