![ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate structure](/static/products/844/844824-87-9.png)
ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate
TL;DR: ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate (CAS 844824-87-9) is a chemical compound with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetate
Also Known As: ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate, ethyl 2-(5-(4-(tert-butyl)phenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)acetate, ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetate
| Molecular Formula | C22H27N3O4 |
|---|---|
| Molecular Weight | 397.20 g/mol |
| LogP | 2.5663 |
| Topological Polar Surface Area | 75.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.20016 |
| Heavy Atoms | 29 |
| Complexity | 1188.4862 |
Chemical Identifiers
| CAS Number | 844824-87-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=C2C(=C1C3=CC=C(C=C3)C(C)(C)C)C(=O)N(C(=O)N2C)C |
Product Overview
ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate (CAS 844824-87-9), with molecular formula C22H27N3O4 and molecular weight 397.20 g/mol. IUPAC: ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetate.
Chemical Property Profile of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate
Property Insights of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate
The XLogP value of 2.5663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate. The TPSA of 75.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate. Following Lipinski's Rule of Five, ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate has 0 hydrogen bond donor(s) and 4 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-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate?
The CAS number of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate is 844824-87-9.
What is the molecular formula of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate?
The molecular formula of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate is C22H27N3O4.
What is the molecular weight of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate?
The molecular weight of ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate is 397.20 g/mol.
Where can I buy ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate?
You can request a quote for ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-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 [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.