![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)benzoate structure](/static/products/847/847368-69-8.png)
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)benzoate
TL;DR: 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)benzoate (CAS 847368-69-8) is a chemical compound with molecular formula C27H29N3O4 and molecular weight 459.22 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]benzoate
Also Known As: 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)benzoate, ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate, ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]benzoate
| Molecular Formula | C27H29N3O4 |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 4.1691 |
| Topological Polar Surface Area | 75.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.21582 |
| Heavy Atoms | 34 |
| Complexity | 1513.2396 |
Chemical Identifiers
| CAS Number | 847368-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N2C=C3C(=C2C4=CC=C(C=C4)C(C)(C)C)C(=O)N(C(=O)N3C)C |
Product Overview
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)benzoate (CAS 847368-69-8), with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol. IUPAC: ethyl 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]benzoate.
Chemical Property Profile of 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)benzoate
Property Insights of 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)benzoate
The XLogP value of 4.1691 indicates that 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)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 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)benzoate. Following Lipinski's Rule of Five, 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)benzoate 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 2-(5-(4-(tert-butyl)phenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)benzoate?
The CAS number of 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)benzoate is 847368-69-8.
What is the molecular formula of 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)benzoate?
The molecular formula of 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)benzoate is C27H29N3O4.
What is the molecular weight of 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)benzoate?
The molecular weight of 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)benzoate is 459.22 g/mol.
Where can I buy 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)benzoate?
You can request a quote for 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)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 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)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.