![[(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate structure](/static/products/121/1214870-52-6.png)
[(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 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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
| Molecular Formula | C28H28N2O5S |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 4.21274 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.1719 |
| Heavy Atoms | 36 |
| Complexity | 1400.4473 |
Chemical Identifiers
| CAS Number | 1214870-52-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)/C=C/C4=CC=CC=C4)C |
Product Overview
[(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 1214870-52-6), with molecular formula C28H28N2O5S and molecular weight 504.17 g/mol. IUPAC: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
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 4.21274 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 92.78 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 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 504.17 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,3-dimethylphenyl)carbamoyl]methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, KEHONG BIO 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.