3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
TL;DR: 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone (CAS 705959-83-7) is a chemical compound with molecular formula C17H24N2O3S and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonylpiperidin-4-yl)methanone
Also Known As: ChemDiv3_013390, IDI1_029540, 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonylpiperidin-4-yl)methanone, 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone, 2-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H24N2O3S |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 1.633 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.15076 |
| Heavy Atoms | 23 |
| Complexity | 678.8338 |
Chemical Identifiers
| CAS Number | 705959-83-7 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone (CAS 705959-83-7), with molecular formula C17H24N2O3S and molecular weight 336.15 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonylpiperidin-4-yl)methanone.
Chemical Property Profile of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
Property Insights of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone
The XLogP value of 1.633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone. With a topological polar surface area (TPSA) of 57.69 Ų, 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone has 0 hydrogen bond donor(s) and 3 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 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone?
The CAS number of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone is 705959-83-7.
What is the molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone?
The molecular formula of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone is C17H24N2O3S.
What is the molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone?
The molecular weight of 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone is 336.15 g/mol.
Where can I buy 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone?
You can request a quote for 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.