2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 677293-99-1) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: IFLab1_005687, IFLab2_000137, IDI1_011090, IDI1_019163, 2-(4-ethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 677293-99-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
| InChIKey | OHVLCHDISHRBAZ-UHFFFAOYSA-N |
Product Overview
2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline (CAS 677293-99-1), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: 2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 55.0 Ų, 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 4 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-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline is 677293-99-1.
What is the molecular formula of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline is C17H19NO3S.
What is the molecular weight of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline is 317.11 g/mol.
Where can I buy 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Ethoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.