3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
TL;DR: 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate (CAS 52488-27-4) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 1-O,2-O-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate
Also Known As: 3-Ethyl 1,2-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate, J1.187.849K, 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate, 3-O-ethyl 1-O,2-O-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate, Pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylic acid 1,2-dimethyl 3-ethyl ester
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.2374 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 1037.0098 |
Chemical Identifiers
| CAS Number | 52488-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C2N1N=CC3=CC=CC=C32)C(=O)OC)C(=O)OC |
Product Overview
3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate (CAS 52488-27-4), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 3-O-ethyl 1-O,2-O-dimethyl pyrrolo[2,1-a]phthalazine-1,2,3-tricarboxylate.
Chemical Property Profile of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
Property Insights of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate
The XLogP value of 2.2374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate?
The CAS number of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate is 52488-27-4.
What is the molecular formula of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate?
The molecular formula of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate is C18H16N2O6.
What is the molecular weight of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate?
The molecular weight of 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate is 356.10 g/mol.
Where can I buy 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate?
You can request a quote for 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)phthalazine-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.