![Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate structure](/static/products/5483/5483-45-4.webp)
Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate
TL;DR: Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate (CAS 5483-45-4) is a chemical compound with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-chloro-4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]phenoxy]propanoate
Also Known As: Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate
| Molecular Formula | C21H21ClN2O5 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 2.8114 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1139 |
| Heavy Atoms | 29 |
| Complexity | 897.6466 |
Chemical Identifiers
| CAS Number | 5483-45-4 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=C(C=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)Cl |
Product Overview
Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate (CAS 5483-45-4), with molecular formula C21H21ClN2O5 and molecular weight 416.11 g/mol. IUPAC: ethyl 2-[2-chloro-4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]phenoxy]propanoate.
Chemical Property Profile of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate
Property Insights of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate
The XLogP value of 2.8114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate 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 Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate?
The CAS number of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate is 5483-45-4.
What is the molecular formula of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate?
The molecular formula of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate is C21H21ClN2O5.
What is the molecular weight of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate?
The molecular weight of Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate is 416.11 g/mol.
Where can I buy Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate?
You can request a quote for Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-chloro-4-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.