![ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate structure](/static/products/6750/67504-53-4.webp)
ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate
TL;DR: ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate (CAS 67504-53-4) is a chemical compound with molecular formula C21H31NO4 and molecular weight 361.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate
Also Known As: ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate, 2H-benzo[a]quinolizine-2-acetic acid, 3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, ethyl ester, 3-ETHYL-1,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO[A]QUINOLIZINE-2-ACETIC ACID, ETHYL ESTER, Ethyl (3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)acetate
| Molecular Formula | C21H31NO4 |
|---|---|
| Molecular Weight | 361.23 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.2253 |
| Heavy Atoms | 26 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 67504-53-4 |
|---|---|
| SMILES | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC(=O)OCC)OC)OC |
| InChIKey | YHIDMIJOSAPVSE-UHFFFAOYSA-N |
Product Overview
ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate (CAS 67504-53-4), with molecular formula C21H31NO4 and molecular weight 361.23 g/mol. IUPAC: ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate.
Chemical Property Profile of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate
Property Insights of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate
The XLogP value of 3.5 indicates that ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate has 0 hydrogen bond donor(s) and 5 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 ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate?
The CAS number of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate is 67504-53-4.
What is the molecular formula of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate?
The molecular formula of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate is C21H31NO4.
What is the molecular weight of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate?
The molecular weight of ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate is 361.23 g/mol.
Where can I buy ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate?
You can request a quote for ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.