![2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione structure](/static/products/3269/326920-64-3.webp)
2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 326920-64-3) is a chemical compound with molecular formula C16H17ClN2O2 and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, BAS 00655941, 2-(((3-Chloro-4-methylphenyl)amino)methyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-([(3-Chloro-4-methylphenyl)amino]methyl)-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C16H17ClN2O2 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 2.96902 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.09787 |
| Heavy Atoms | 21 |
| Complexity | 600.703 |
Chemical Identifiers
| CAS Number | 326920-64-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCN2C(=O)C3CC=CCC3C2=O)Cl |
Product Overview
2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 326920-64-3), with molecular formula C16H17ClN2O2 and molecular weight 304.10 g/mol. IUPAC: 2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.96902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-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-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 326920-64-3.
What is the molecular formula of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C16H17ClN2O2.
What is the molecular weight of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 304.10 g/mol.
Where can I buy 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-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-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.