ChemDiv1_001789
TL;DR: ChemDiv1_001789 (CAS 313393-90-7) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_001789, BAS 01057489, BIM-0034204.P001, AB00684095-01, F0219-0007
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.1915 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1275.0736 |
Chemical Identifiers
| CAS Number | 313393-90-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_001789 (CAS 313393-90-7), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: ethyl 2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_001789
Property Insights of ChemDiv1_001789
The XLogP value of 4.1915 indicates that ChemDiv1_001789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001789. Following Lipinski's Rule of Five, ChemDiv1_001789 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_001789?
The CAS number of ChemDiv1_001789 is 313393-90-7.
What is the molecular formula of ChemDiv1_001789?
The molecular formula of ChemDiv1_001789 is C25H22N2O5S.
What is the molecular weight of ChemDiv1_001789?
The molecular weight of ChemDiv1_001789 is 462.12 g/mol.
Where can I buy ChemDiv1_001789?
You can request a quote for ChemDiv1_001789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001789?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.