![ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate structure](/static/products/7019/701945-99-5.webp)
ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
TL;DR: ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate (CAS 701945-99-5) is a chemical compound with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
Also Known As: ethyl 4-(2-1,2,3,4-tetrahydroisoquinolylcarbonylamino)benzoate, ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate, Ethyl 4-[(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)amino]benzoate, ethyl 4-[(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)amino]benzoate, ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 3.4535 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 740.53204 |
Chemical Identifiers
| CAS Number | 701945-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate (CAS 701945-99-5), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate.
Chemical Property Profile of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
Property Insights of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate
The XLogP value of 3.4535 indicates that ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate has 1 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 ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate?
The CAS number of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate is 701945-99-5.
What is the molecular formula of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate?
The molecular formula of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate is C19H20N2O3.
What is the molecular weight of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate?
The molecular weight of ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate is 324.15 g/mol.
Where can I buy ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate?
You can request a quote for ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.