ChemDiv1_024497
TL;DR: ChemDiv1_024497 (CAS 163769-83-3) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8,9-dimethoxy-5,5-dimethyl-2,3-dioxo-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
Also Known As: ChemDiv1_024497, BAS 00329656, ethyl 8,9-dimethoxy-5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate, F0916-1737, 8,9-Dimethoxy-5,5-dimethyl-2,3-dioxo-2,3,5,6-tetrahydro-pyrrolo[2,1-a]isoquinoline-1-carboxylic acid ethyl ester
| Molecular Formula | C19H21NO6 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 1.724 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1369 |
| Heavy Atoms | 26 |
| Complexity | 851.83044 |
Chemical Identifiers
| CAS Number | 163769-83-3 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC(=C(C=C3CC(N2C(=O)C1=O)(C)C)OC)OC |
Product Overview
ChemDiv1_024497 (CAS 163769-83-3), with molecular formula C19H21NO6 and molecular weight 359.14 g/mol. IUPAC: ethyl 8,9-dimethoxy-5,5-dimethyl-2,3-dioxo-6H-pyrrolo[2,1-a]isoquinoline-1-carboxylate.
Chemical Property Profile of ChemDiv1_024497
Property Insights of ChemDiv1_024497
The XLogP value of 1.724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024497. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024497. Following Lipinski's Rule of Five, ChemDiv1_024497 has 0 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_024497?
The CAS number of ChemDiv1_024497 is 163769-83-3.
What is the molecular formula of ChemDiv1_024497?
The molecular formula of ChemDiv1_024497 is C19H21NO6.
What is the molecular weight of ChemDiv1_024497?
The molecular weight of ChemDiv1_024497 is 359.14 g/mol.
Where can I buy ChemDiv1_024497?
You can request a quote for ChemDiv1_024497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024497?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.