![7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate structure](/static/products/396/396099-53-9.png)
7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate
TL;DR: 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate (CAS 396099-53-9) is a chemical compound with molecular formula C22H18N2O9 and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-O-ethyl 1-O,2-O-dimethyl 3-(4-nitrobenzoyl)indolizine-1,2,7-tricarboxylate
Also Known As: 3-(4-Nitro-benzoyl)-indolizine-1,2,7-tricarboxylic acid 7-ethyl ester 1,2-dimethyl ester, 7-ETHYL 1,2-DIMETHYL 3-(4-NITROBENZOYL)INDOLIZINE-1,2,7-TRICARBOXYLATE, 7-ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate, 7-O-ethyl 1-O,2-O-dimethyl 3-(4-nitrobenzoyl)indolizine-1,2,7-tricarboxylate
| Molecular Formula | C22H18N2O9 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 2.8284 |
| Topological Polar Surface Area | 143.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.10123 |
| Heavy Atoms | 33 |
| Complexity | 1289.434 |
Chemical Identifiers
| CAS Number | 396099-53-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C(=O)OC |
Product Overview
7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate (CAS 396099-53-9), with molecular formula C22H18N2O9 and molecular weight 454.10 g/mol. IUPAC: 7-O-ethyl 1-O,2-O-dimethyl 3-(4-nitrobenzoyl)indolizine-1,2,7-tricarboxylate.
Chemical Property Profile of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate
Property Insights of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate
The XLogP value of 2.8284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate. The TPSA of 143.52 Ų indicates high polarity, suggesting 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate has 0 hydrogen bond donor(s) and 9 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 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate?
The CAS number of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate is 396099-53-9.
What is the molecular formula of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate?
The molecular formula of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate is C22H18N2O9.
What is the molecular weight of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate?
The molecular weight of 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate is 454.10 g/mol.
Where can I buy 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate?
You can request a quote for 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl 1,2-dimethyl 3-[(4-nitrophenyl)carbonyl]indolizine-1,2,7-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.