![2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid structure](/static/products/844/844452-98-8.png)
2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
TL;DR: 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid (CAS 844452-98-8) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
Also Known As: 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid, [5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetic acid, 2-(5-(4-(tert-butyl)phenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)acetic acid
| Molecular Formula | C20H23N3O4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 2.0878 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.16885 |
| Heavy Atoms | 27 |
| Complexity | 1155.6208 |
Chemical Identifiers
| CAS Number | 844452-98-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=C3C(=CN2CC(=O)O)N(C(=O)N(C3=O)C)C |
Product Overview
2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid (CAS 844452-98-8), with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol. IUPAC: 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid.
Chemical Property Profile of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
Property Insights of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid
The XLogP value of 2.0878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid. Following Lipinski's Rule of Five, 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid has 1 hydrogen bond donor(s) and 3 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 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid?
The CAS number of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid is 844452-98-8.
What is the molecular formula of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid?
The molecular formula of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid is C20H23N3O4.
What is the molecular weight of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid?
The molecular weight of 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid is 369.17 g/mol.
Where can I buy 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid?
You can request a quote for 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-tert-butylphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.