![3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid structure](/static/products/3978/3978-91-4.webp)
3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
TL;DR: 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 3978-91-4) is a chemical compound with molecular formula C29H23BrN4O7 and molecular weight 618.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-methoxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
Also Known As: 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1-(5-bromo-2-methoxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
| Molecular Formula | C29H23BrN4O7 |
|---|---|
| Molecular Weight | 618.08 g/mol |
| LogP | 4.3634 |
| Topological Polar Surface Area | 154.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 618.075 |
| Heavy Atoms | 41 |
| Complexity | 1754.0233 |
Chemical Identifiers
| CAS Number | 3978-91-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])C(N2)(CC5=CNC6=CC=CC=C65)C(=O)O |
Product Overview
3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid (CAS 3978-91-4), with molecular formula C29H23BrN4O7 and molecular weight 618.08 g/mol. IUPAC: 1-(5-bromo-2-methoxyphenyl)-3-(1H-indol-3-ylmethyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid.
Chemical Property Profile of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Property Insights of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
The XLogP value of 4.3634 indicates that 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.87 Ų indicates high polarity, suggesting 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The CAS number of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 3978-91-4.
What is the molecular formula of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular formula of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is C29H23BrN4O7.
What is the molecular weight of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
The molecular weight of 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid is 618.08 g/mol.
Where can I buy 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
You can request a quote for 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-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 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2-methoxyphenyl)-1-[(1H-indol-3-yl)methyl]-5-(3-nitrophenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.