![[(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate structure](/static/products/121/1214870-52-6.webp)
[(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
TL;DR: [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 1214870-52-6) is a chemical compound with molecular formula C28H28N2O5S and molecular weight 504.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Also Known As: [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate|[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate|EN300-26617162
Technical Specifications
| Molecular Formula | C28H28N2O5S |
| Molecular Weight | 504.1719 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1719 Da |
| Heavy Atoms | 36 |
| Complexity | 892.0 |
| SMILES | CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)/C=C/C4=CC=CC=C4)C |
| InChIKey | UXGFBVIVAVDMRM-FOCLMDBBSA-N |
Chemical Property Profile of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Property Insights of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
The XLogP value of 4.6 indicates that [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. Following Lipinski's Rule of Five, [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The CAS number of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 1214870-52-6.
What is the molecular formula of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular formula of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is C28H28N2O5S.
What is the molecular weight of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular weight of [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 504.1719 g/mol.
Where can I buy [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
You can request a quote for [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.