![methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate structure](/static/products/6966/696629-25-1.webp)
methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate
TL;DR: methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate (CAS 696629-25-1) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoate
Also Known As: BAS 13091218, AO-080/43378352, methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate, A3606/0152843, methyl 3-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoate
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 2.1477 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 773.0415 |
Chemical Identifiers
| CAS Number | 696629-25-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CNC(=O)CN2CCC3=CC=CC=C3C2 |
Product Overview
methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate (CAS 696629-25-1), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: methyl 3-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]methyl]benzoate.
Chemical Property Profile of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate
Property Insights of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate
The XLogP value of 2.1477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate. With a topological polar surface area (TPSA) of 58.64 Ų, methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate has 1 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 methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate?
The CAS number of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate is 696629-25-1.
What is the molecular formula of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate?
The molecular formula of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate is C20H22N2O3.
What is the molecular weight of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate?
The molecular weight of methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate is 338.16 g/mol.
Where can I buy methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate?
You can request a quote for methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.