Kca 098
TL;DR: Kca 098 (CAS 129794-24-7) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(dimethylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate
Also Known As: Kca 098, 3,9-Bis(N,N-dimethylcarbamoyloxy)-5H-benzofuro(3,2-c)quinoline-6-one, [9-(dimethylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate, 5,6-Dihydro-6-oxobenzofuro(3,2-c)quinoline-3,9-diyl dimethylcarbamate, 6-Oxo-5,6-dihydrobenzofuro[3,2-c]quinoline-3,9-diyl bis(dimethylcarbamate)
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 129794-24-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)N(C)C)C(=O)N2 |
| InChIKey | IHQFYMAOIYJTBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kca 098 (CAS 129794-24-7), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: [9-(dimethylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N,N-dimethylcarbamate.
Chemical Property Profile of Kca 098
Property Insights of Kca 098
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kca 098. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kca 098. Following Lipinski's Rule of Five, Kca 098 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 Kca 098?
The CAS number of Kca 098 is 129794-24-7.
What is the molecular formula of Kca 098?
The molecular formula of Kca 098 is C21H19N3O6.
What is the molecular weight of Kca 098?
The molecular weight of Kca 098 is 409.13 g/mol.
Where can I buy Kca 098?
You can request a quote for Kca 098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kca 098?
Yes, KEHONG BIO provides custom synthesis services for Kca 098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.