2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 431069-74-8) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-(3-chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(3-chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.49412 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 635.3641 |
Chemical Identifiers
| CAS Number | 431069-74-8 |
|---|---|
| SMILES | CC1=CCC2C(C1)C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C |
Product Overview
2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 431069-74-8), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: 2-(3-chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 3.49412 indicates that 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 2 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-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 431069-74-8.
What is the molecular formula of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C16H16ClNO2.
What is the molecular weight of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 289.09 g/mol.
Where can I buy 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-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-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloro-2-methylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.