![(4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate structure](/static/products/109/1093262-83-9.png)
(4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
TL;DR: (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (CAS 1093262-83-9) is a chemical compound with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Also Known As: (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate, (4-nitrophenyl)methyl 2-(2-phenylethenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
| Molecular Formula | C25H22N2O6S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 4.0656 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.11984 |
| Heavy Atoms | 34 |
| Complexity | 1321.0266 |
Chemical Identifiers
| CAS Number | 1093262-83-9 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate (CAS 1093262-83-9), with molecular formula C25H22N2O6S and molecular weight 478.12 g/mol. IUPAC: (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
Chemical Property Profile of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Property Insights of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
The XLogP value of 4.0656 indicates that (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate. Following Lipinski's Rule of Five, (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The CAS number of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is 1093262-83-9.
What is the molecular formula of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The molecular formula of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is C25H22N2O6S.
What is the molecular weight of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
The molecular weight of (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate is 478.12 g/mol.
Where can I buy (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
You can request a quote for (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)methyl 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.