![1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid structure](/static/products/102/1024354-80-0.png)
1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
TL;DR: 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 1024354-80-0) is a chemical compound with molecular formula C29H25N3O5 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Also Known As: 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1-(2-hydroxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid, 3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
| Molecular Formula | C29H25N3O5 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 3.69812 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.1794 |
| Heavy Atoms | 37 |
| Complexity | 1576.5767 |
Chemical Identifiers
| CAS Number | 1024354-80-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CC=C4O)(CC5=CNC6=CC=CC=C65)C(=O)O |
Product Overview
1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 1024354-80-0), with molecular formula C29H25N3O5 and molecular weight 495.18 g/mol. IUPAC: 1-(2-hydroxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid.
Chemical Property Profile of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Property Insights of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
The XLogP value of 3.69812 indicates that 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid. Following Lipinski's Rule of Five, 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid has 4 hydrogen bond donor(s) and 5 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 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The CAS number of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 1024354-80-0.
What is the molecular formula of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular formula of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is C29H25N3O5.
What is the molecular weight of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular weight of 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 495.18 g/mol.
Where can I buy 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
You can request a quote for 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[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 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-((1H-indol-3-yl)methyl)-3-(2-hydroxyphenyl)-4,6-dioxo-5-(m-tolyl)octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.