1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1164515-38-1) is a chemical compound with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-6-hydroxy-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one
Also Known As: 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1,3-diethyl-6-hydroxy-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one, 1,3-diethyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-ylacetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, Opera_ID_1646
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 1164515-38-1 |
|---|---|
| SMILES | CCN1C(=C(C(=O)N(C1=S)CC)C(=O)CC2C3=CC=CC=C3CCN2)O |
| InChIKey | ZMBLEUBXFDKDAL-UHFFFAOYSA-N |
Product Overview
1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1164515-38-1), with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol. IUPAC: 1,3-diethyl-6-hydroxy-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one.
Chemical Property Profile of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 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 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1164515-38-1.
What is the molecular formula of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C19H23N3O3S.
What is the molecular weight of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 373.15 g/mol.
Where can I buy 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diethyl-6-hydroxy-5-(2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.