![1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid structure](/static/products/7239/7239-74-9.webp)
1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid
TL;DR: 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid (CAS 7239-74-9) is a chemical compound with molecular formula C28H29NO4 and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methyl-1,3-dioxo-7-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)methyl]tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxylic acid
Also Known As: 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid
| Molecular Formula | C28H29NO4 |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 3.5922 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.20966 |
| Heavy Atoms | 33 |
| Complexity | 1108.1539 |
Chemical Identifiers
| CAS Number | 7239-74-9 |
|---|---|
| SMILES | CN1C(=O)C2C(C=CC(C2C1=O)C3=CC=CC=C3)CC4C5CC6C7C5C4C(C6C(=O)O)C=C7 |
Product Overview
1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid (CAS 7239-74-9), with molecular formula C28H29NO4 and molecular weight 443.21 g/mol. IUPAC: 4-[(2-methyl-1,3-dioxo-7-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)methyl]tetracyclo[5.4.0.02,5.03,9]undec-10-ene-8-carboxylic acid.
Chemical Property Profile of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid
Property Insights of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid
The XLogP value of 3.5922 indicates that 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid. Following Lipinski's Rule of Five, 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic 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 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid?
The CAS number of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid is 7239-74-9.
What is the molecular formula of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid?
The molecular formula of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid is C28H29NO4.
What is the molecular weight of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid?
The molecular weight of 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid is 443.21 g/mol.
Where can I buy 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid?
You can request a quote for 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-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-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-1,1a,2,3,3a,6,6a,6b-octahydro-3,6-methanocyclobuta[cd]indene-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.