![ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate structure](/static/products/100/1003210-19-2.png)
ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate (CAS 1003210-19-2) is a chemical compound with molecular formula C23H26N6O2 and molecular weight 418.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-[5,6-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpyrazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate, ethyl 5-amino-1-(5,6-dimethyl-7-phenethylpyrrolo[2,3-d]pyrimidin-4-yl)-3-methylpyrazole-4-carboxylate, ethyl 5-amino-1-[5,6-dimethyl-7-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-methyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C23H26N6O2 |
|---|---|
| Molecular Weight | 418.21 g/mol |
| LogP | 3.54386 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.21173 |
| Heavy Atoms | 31 |
| Complexity | 1256.5468 |
Chemical Identifiers
| CAS Number | 1003210-19-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=NC=NC3=C2C(=C(N3CCC4=CC=CC=C4)C)C)N |
Product Overview
ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate (CAS 1003210-19-2), with molecular formula C23H26N6O2 and molecular weight 418.21 g/mol. IUPAC: ethyl 5-amino-1-[5,6-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-methylpyrazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.54386 indicates that ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate has 1 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 ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate is 1003210-19-2.
What is the molecular formula of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate is C23H26N6O2.
What is the molecular weight of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate is 418.21 g/mol.
Where can I buy ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-(5,6-dimethyl-7-phenethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.