RefChem:547108
TL;DR: RefChem:547108 (CAS 68399-98-4) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-morpholin-4-yl-12,15-dioxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10-hexaene-11-carboxylate
Also Known As: 7H-Benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylic acid, 9,10-dihydro-3-(4-morpholinyl)-7,10-dioxo-, ethyl ester, ethyl 3-(morpholin-4-yl)-7,10-dioxo-9,10-dihydro-7h-benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylate, 7H-Benzo(de)pyrazolo(5,1-a)isoquinoline-11-carboxylic acid, 9,10-dihydro-3-(4-morpholinyl)-7,10-dioxo-, ethyl ester, 9,10-Dihydro-3-morpholino-7,10-dioxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylic acid ethyl ester, Ethyl 3-morpholino-7,10-dioxo-9,10-dihydro-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-11-carboxylate
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 68399-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C(=O)N2NC1=O |
| InChIKey | LQCWXOOQZZDWCC-UHFFFAOYSA-N |
Product Overview
RefChem:547108 (CAS 68399-98-4), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: ethyl 6-morpholin-4-yl-12,15-dioxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10-hexaene-11-carboxylate.
Chemical Property Profile of RefChem:547108
Property Insights of RefChem:547108
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:547108. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:547108. Following Lipinski's Rule of Five, RefChem:547108 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 RefChem:547108?
The CAS number of RefChem:547108 is 68399-98-4.
What is the molecular formula of RefChem:547108?
The molecular formula of RefChem:547108 is C21H19N3O5.
What is the molecular weight of RefChem:547108?
The molecular weight of RefChem:547108 is 393.13 g/mol.
Where can I buy RefChem:547108?
You can request a quote for RefChem:547108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:547108?
Yes, KEHONG BIO provides custom synthesis services for RefChem:547108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.