A0533/0024607
TL;DR: A0533/0024607 (CAS 290299-65-9) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: A0533/0024607, ethyl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate, ethyl 4-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)-3-oxobutanoate, ethyl 4-(3-cyano-4-(2-thienyl)(2-5,6,7,8-tetrahydroquinolylthio))-3-oxobutanoa te, ethyl 4-[(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 4.17498 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 885.6172 |
Chemical Identifiers
| CAS Number | 290299-65-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
A0533/0024607 (CAS 290299-65-9), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of A0533/0024607
Property Insights of A0533/0024607
The XLogP value of 4.17498 indicates that A0533/0024607 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for A0533/0024607. Following Lipinski's Rule of Five, A0533/0024607 has 0 hydrogen bond donor(s) and 7 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 A0533/0024607?
The CAS number of A0533/0024607 is 290299-65-9.
What is the molecular formula of A0533/0024607?
The molecular formula of A0533/0024607 is C20H20N2O3S2.
What is the molecular weight of A0533/0024607?
The molecular weight of A0533/0024607 is 400.09 g/mol.
Where can I buy A0533/0024607?
You can request a quote for A0533/0024607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0533/0024607?
Yes, KEHONG BIO provides custom synthesis services for A0533/0024607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.