![4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester structure](/static/products/3510/351060-66-7.webp)
4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester
TL;DR: 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester (CAS 351060-66-7) 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 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate
Also Known As: BAS 02232543, VU0611698-1, AB00103833-01, F3347-0036, ethyl 4-[(1,2,3,4-tetrahydroisoquinoline-2-carbothioyl)amino]benzoate
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 351060-66-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2 |
| InChIKey | KDXXILHYGZBBSL-UHFFFAOYSA-N |
Product Overview
4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester (CAS 351060-66-7), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)benzoate.
Chemical Property Profile of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester
Property Insights of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester
The XLogP value of 3.5 indicates that 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester 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 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester?
The CAS number of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester is 351060-66-7.
What is the molecular formula of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester?
The molecular formula of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester is C19H20N2O2S.
What is the molecular weight of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester?
The molecular weight of 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester is 340.12 g/mol.
Where can I buy 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester?
You can request a quote for 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester 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-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-Dihydro-1H-isoquinoline-2-carbothioyl)-amino]-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.