(3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate
TL;DR: (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate (CAS 1164557-54-3) is a chemical compound with molecular formula C25H30N2O5 and molecular weight 438.22 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-[(3-methylphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
Also Known As: (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate, (3,4-Dihydro-1H-isoquinolin-2-yl)-[1-(3-methyl-benzyl)-piperidin-3-yl]-methanone
| Molecular Formula | C25H30N2O5 |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 2.94752 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.21548 |
| Heavy Atoms | 32 |
| Complexity | 962.3096 |
Chemical Identifiers
| CAS Number | 1164557-54-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O |
Product Overview
(3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate (CAS 1164557-54-3), with molecular formula C25H30N2O5 and molecular weight 438.22 g/mol. IUPAC: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methylphenyl)methyl]piperidin-3-yl]methanone;oxalic acid.
Chemical Property Profile of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate
Property Insights of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate
The XLogP value of 2.94752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate. Following Lipinski's Rule of Five, (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate has 2 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 (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate?
The CAS number of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate is 1164557-54-3.
What is the molecular formula of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate?
The molecular formula of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate is C25H30N2O5.
What is the molecular weight of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate?
The molecular weight of (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate is 438.22 g/mol.
Where can I buy (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate?
You can request a quote for (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dihydroisoquinolin-2(1H)-yl)(1-(3-methylbenzyl)piperidin-3-yl)methanone oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.