ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
TL;DR: ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302912-92-1) is a chemical compound with molecular formula C25H21FN2O5 and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-dimethoxyphenyl)-7-(4-fluorobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Also Known As: ethyl 3-(3,4-dimethoxyphenyl)-7-(4-fluorobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate, ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate, 658-663-2, RefChem:591301
| Molecular Formula | C25H21FN2O5 |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 4.5653 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.14346 |
| Heavy Atoms | 33 |
| Complexity | 1345.1737 |
Chemical Identifiers
| CAS Number | 302912-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)OC)OC |
Product Overview
ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate (CAS 302912-92-1), with molecular formula C25H21FN2O5 and molecular weight 448.14 g/mol. IUPAC: ethyl 3-(3,4-dimethoxyphenyl)-7-(4-fluorobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate.
Chemical Property Profile of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
Property Insights of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate
The XLogP value of 4.5653 indicates that ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate 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 ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The CAS number of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 302912-92-1.
What is the molecular formula of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular formula of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is C25H21FN2O5.
What is the molecular weight of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
The molecular weight of ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate is 448.14 g/mol.
Where can I buy ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
You can request a quote for ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ET 3-(3,4-Dimethoxyphenyl)-7-(4-F-benzoyl)pyrrolo(1,2-C)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.