3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 331627-01-1) is a chemical compound with molecular formula C16H12Cl3NO2 and molecular weight 354.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3,4,5-trichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, A1306/0059391, 2-methyl-4-(3,4,5-trichlorophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 2-methyl-4-(3,4,5-trichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C16H12Cl3NO2 |
|---|---|
| Molecular Weight | 354.99 g/mol |
| LogP | 4.3484 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.99335 |
| Heavy Atoms | 22 |
| Complexity | 736.753 |
Chemical Identifiers
| CAS Number | 331627-01-1 |
|---|---|
| SMILES | CC12C3CC(C1C(=O)N(C2=O)C4=CC(=C(C(=C4)Cl)Cl)Cl)C=C3 |
Product Overview
3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 331627-01-1), with molecular formula C16H12Cl3NO2 and molecular weight 354.99 g/mol. IUPAC: 2-methyl-4-(3,4,5-trichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.3484 indicates that 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-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, 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-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 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 331627-01-1.
What is the molecular formula of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C16H12Cl3NO2.
What is the molecular weight of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 354.99 g/mol.
Where can I buy 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a-methyl-2-(3,4,5-trichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.