ChemDiv1_005010
TL;DR: ChemDiv1_005010 (CAS 326889-85-4) is a chemical compound with molecular formula C24H20N2O5S and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_005010, CBKinase1_001395, CBKinase1_013795, AF-399/13909027, BRD-K56883397-001-01-6
| Molecular Formula | C24H20N2O5S |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 3.8014 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.10928 |
| Heavy Atoms | 32 |
| Complexity | 1258.457 |
Chemical Identifiers
| CAS Number | 326889-85-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_005010 (CAS 326889-85-4), with molecular formula C24H20N2O5S and molecular weight 448.11 g/mol. IUPAC: ethyl 2-[[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005010
Property Insights of ChemDiv1_005010
The XLogP value of 3.8014 indicates that ChemDiv1_005010 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_005010. Following Lipinski's Rule of Five, ChemDiv1_005010 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_005010?
The CAS number of ChemDiv1_005010 is 326889-85-4.
What is the molecular formula of ChemDiv1_005010?
The molecular formula of ChemDiv1_005010 is C24H20N2O5S.
What is the molecular weight of ChemDiv1_005010?
The molecular weight of ChemDiv1_005010 is 448.11 g/mol.
Where can I buy ChemDiv1_005010?
You can request a quote for ChemDiv1_005010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005010?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.