![ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate structure](/static/products/860/860650-48-2.png)
ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate
TL;DR: ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate (CAS 860650-48-2) is a chemical compound with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl]acetate
Also Known As: ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate, ethyl 2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraen-3-yl]acetate, Ethyl 2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl]acetate, ethyl 2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0(2),?]dodeca-2(6),7,9,11-tetraen-3-yl]acetate, ethyl2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraen-3-yl]acetate
| Molecular Formula | C21H24N4O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 2.64752 |
| Topological Polar Surface Area | 78.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.17975 |
| Heavy Atoms | 29 |
| Complexity | 1076.2186 |
Chemical Identifiers
| CAS Number | 860650-48-2 |
|---|---|
| SMILES | CCOC(=O)CN1CCC2=C1N3C(=C(C=N3)C4=CC(=C(C=C4)OC)OC)N=C2C |
Product Overview
ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate (CAS 860650-48-2), with molecular formula C21H24N4O4 and molecular weight 396.18 g/mol. IUPAC: ethyl 2-[10-(3,4-dimethoxyphenyl)-7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl]acetate.
Chemical Property Profile of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate
Property Insights of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate
The XLogP value of 2.64752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate. The TPSA of 78.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate 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 ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate?
The CAS number of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate is 860650-48-2.
What is the molecular formula of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate?
The molecular formula of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate is C21H24N4O4.
What is the molecular weight of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate?
The molecular weight of ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate is 396.18 g/mol.
Where can I buy ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate?
You can request a quote for ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-(3,4-dimethoxyphenyl)-5-methyl-6,7-dihydro-8H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-8-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.