![ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate structure](/static/products/780/780779-07-9.png)
ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate
TL;DR: ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate (CAS 780779-07-9) is a chemical compound with molecular formula C22H23NO4 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate
Also Known As: ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate, ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate, ETHYL 4-{8-ETHOXY-1,3-DIMETHYL-4-OXO-2H,4H-CYCLOHEPTA[C]PYRROL-2-YL}BENZOATE
| Molecular Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.18294 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.16272 |
| Heavy Atoms | 27 |
| Complexity | 1048.5812 |
Chemical Identifiers
| CAS Number | 780779-07-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C(=O)OCC)C |
Product Overview
ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate (CAS 780779-07-9), with molecular formula C22H23NO4 and molecular weight 365.16 g/mol. IUPAC: ethyl 4-(4-ethoxy-1,3-dimethyl-8-oxocyclohepta[c]pyrrol-2-yl)benzoate.
Chemical Property Profile of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate
Property Insights of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate
The XLogP value of 4.18294 indicates that ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate?
The CAS number of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate is 780779-07-9.
What is the molecular formula of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate?
The molecular formula of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate is C22H23NO4.
What is the molecular weight of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate?
The molecular weight of ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate is 365.16 g/mol.
Where can I buy ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate?
You can request a quote for ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(8-ethoxy-1,3-dimethyl-4-oxocyclohepta[c]pyrrol-2(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.