![5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid structure](/static/products/104/1041866-99-2.png)
5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
TL;DR: 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 1041866-99-2) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxycarbonylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
Also Known As: 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-(4-ethoxycarbonylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid, 5-[4-(ethoxycarbonyl)phenyl]-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 1.4722 |
| Topological Polar Surface Area | 133.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1065.784 |
Chemical Identifiers
| CAS Number | 1041866-99-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4O)C(=O)O |
Product Overview
5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 1041866-99-2), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 5-(4-ethoxycarbonylphenyl)-1-(2-hydroxyphenyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid.
Chemical Property Profile of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Property Insights of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
The XLogP value of 1.4722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid. The TPSA of 133.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid has 3 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 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The CAS number of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 1041866-99-2.
What is the molecular formula of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular formula of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is C22H20N2O7.
What is the molecular weight of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular weight of 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 424.13 g/mol.
Where can I buy 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
You can request a quote for 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(ethoxycarbonyl)phenyl)-3-(2-hydroxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.