4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid
TL;DR: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid (CAS 439294-99-2) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)cyclohexane-1-carboxylic acid
Also Known As: ChemDiv1_010322, BAS 03603891, 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid, 4-(1,3-Dioxo-octahydro-isoindol-2-yl)-cyclohexanecarboxylic acid, 4-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)cyclohexanecarboxylic acid
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 1.805 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 415.15448 |
Chemical Identifiers
| CAS Number | 439294-99-2 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3CCC(CC3)C(=O)O |
Product Overview
4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid (CAS 439294-99-2), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid
Property Insights of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid
The XLogP value of 1.805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic 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 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid?
The CAS number of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid is 439294-99-2.
What is the molecular formula of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid?
The molecular formula of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid is C15H21NO4.
What is the molecular weight of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid?
The molecular weight of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid is 279.15 g/mol.
Where can I buy 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid?
You can request a quote for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.