![methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate structure](/static/products/831/831246-83-4.png)
methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate
TL;DR: methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate (CAS 831246-83-4) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate
Also Known As: methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate, methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate, METHYL 2-{[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLCARBOTHIOYL]AMINO}-4,5-DIMETHOXYBENZOATE, methyl 4,5-dimethoxy-2-(1,2,3,4-tetrahydroisoquinoline-2-carbothioamido)benzoate, methyl 4,5-dimethoxy-2-[(2-1,2,3,4-tetrahydroisoquinolylthioxomethyl)amino]ben zoate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.2455 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 869.05536 |
Chemical Identifiers
| CAS Number | 831246-83-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)OC |
Product Overview
methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate (CAS 831246-83-4), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethoxybenzoate.
Chemical Property Profile of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate
Property Insights of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate
The XLogP value of 3.2455 indicates that methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 5 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 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate?
The CAS number of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate is 831246-83-4.
What is the molecular formula of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate?
The molecular formula of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate is C20H22N2O4S.
What is the molecular weight of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate?
The molecular weight of methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate is 386.13 g/mol.
Where can I buy methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate?
You can request a quote for methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.