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2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 496015-66-8) is a chemical compound with molecular formula C15H14INO2S and molecular weight 398.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-iodophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(4-iodophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline, 2-[(4-iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline, 2-(4-iodobenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline, AB00040120-01, AP-263/41418026
| Molecular Formula | C15H14INO2S |
|---|---|
| Molecular Weight | 398.98 g/mol |
| LogP | 3.0382 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.979 |
| Heavy Atoms | 20 |
| Complexity | 725.79364 |
Chemical Identifiers
| CAS Number | 496015-66-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)I |
Product Overview
2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 496015-66-8), with molecular formula C15H14INO2S and molecular weight 398.98 g/mol. IUPAC: 2-(4-iodophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.0382 indicates that 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline has 0 hydrogen bond donor(s) and 2 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-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 496015-66-8.
What is the molecular formula of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is C15H14INO2S.
What is the molecular weight of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline is 398.98 g/mol.
Where can I buy 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(4-Iodophenyl)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-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Iodophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.