2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
TL;DR: 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 1098076-35-7) is a chemical compound with molecular formula C26H23NO5S and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Also Known As: 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate, phenacyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
| Molecular Formula | C26H23NO5S |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 3.8401 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1297 |
| Heavy Atoms | 33 |
| Complexity | 1270.304 |
Chemical Identifiers
| CAS Number | 1098076-35-7 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4 |
Product Overview
2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 1098076-35-7), with molecular formula C26H23NO5S and molecular weight 461.13 g/mol. IUPAC: phenacyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
Chemical Property Profile of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Property Insights of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
The XLogP value of 3.8401 indicates that 2-oxo-2-phenylethyl 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 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. Following Lipinski's Rule of Five, 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate has 0 hydrogen bond donor(s) and 5 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-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The CAS number of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 1098076-35-7.
What is the molecular formula of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular formula of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is C26H23NO5S.
What is the molecular weight of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
The molecular weight of 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate is 461.13 g/mol.
Where can I buy 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
You can request a quote for 2-oxo-2-phenylethyl 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-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-phenylethyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.