ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
TL;DR: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate (CAS 865656-85-5) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
Also Known As: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate, F1601-0241, ethyl 2-(1,2,3,4-tetrahydroisoquinoline-2-carbothioamido)benzoate, ethyl 2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]benzoate, ETHYL 2-[(1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 3.6184 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 760.5369 |
Chemical Identifiers
| CAS Number | 865656-85-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate (CAS 865656-85-5), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate.
Chemical Property Profile of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
Property Insights of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
The XLogP value of 3.6184 indicates that ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)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 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate?
The CAS number of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate is 865656-85-5.
What is the molecular formula of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate?
The molecular formula of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate is C19H20N2O2S.
What is the molecular weight of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate?
The molecular weight of ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate is 340.12 g/mol.
Where can I buy ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate?
You can request a quote for ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.