4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide
TL;DR: 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide (CAS 425606-45-7) is a chemical compound with molecular formula C18H20N2O and molecular weight 280.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methylbenzamide
Also Known As: BAS 02127300, BIM-0002807.P001, AB00104071-01, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methylbenzamide, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide
| Molecular Formula | C18H20N2O |
|---|---|
| Molecular Weight | 280.16 g/mol |
| LogP | 2.6045 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.15756 |
| Heavy Atoms | 21 |
| Complexity | 633.9215 |
Chemical Identifiers
| CAS Number | 425606-45-7 |
|---|---|
| SMILES | CNC(=O)C1=CC=C(C=C1)CN2CCC3=CC=CC=C3C2 |
Product Overview
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide (CAS 425606-45-7), with molecular formula C18H20N2O and molecular weight 280.16 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methylbenzamide.
Chemical Property Profile of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide
Property Insights of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide
The XLogP value of 2.6045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide. With a topological polar surface area (TPSA) of 32.34 Ų, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide has 1 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 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide?
The CAS number of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide is 425606-45-7.
What is the molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide?
The molecular formula of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide is C18H20N2O.
What is the molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide?
The molecular weight of 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide is 280.16 g/mol.
Where can I buy 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide?
You can request a quote for 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.