![ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate structure](/static/products/4772/477242-45-8.webp)
ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate
TL;DR: ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate (CAS 477242-45-8) is a chemical compound with molecular formula C26H24F3N5O2 and molecular weight 495.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate, F0532-1500, ethyl 4-(5-phenyl-7-(3-(trifluoromethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate, ethyl 4-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-e]pyrimidin-4-yl}pi perazinecarboxylate
| Molecular Formula | C26H24F3N5O2 |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 5.3848 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.1882 |
| Heavy Atoms | 36 |
| Complexity | 1379.6112 |
Chemical Identifiers
| CAS Number | 477242-45-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5 |
Product Overview
ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate (CAS 477242-45-8), with molecular formula C26H24F3N5O2 and molecular weight 495.19 g/mol. IUPAC: ethyl 4-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate
Property Insights of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate
The XLogP value of 5.3848 indicates that ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate is 477242-45-8.
What is the molecular formula of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate is C26H24F3N5O2.
What is the molecular weight of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate is 495.19 g/mol.
Where can I buy ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.