2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid
TL;DR: 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid (CAS 129761-47-3) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid
Also Known As: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanoic acid, 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid, BAS 02101662, 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-propionic acid, 2-(1,3-Dioxohexahydro-1H-isoindol-2(3H)-yl)propanoic acid
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 0.6347 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 327.89374 |
Chemical Identifiers
| CAS Number | 129761-47-3 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)C2CCCCC2C1=O |
Product Overview
2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid (CAS 129761-47-3), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid.
Chemical Property Profile of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid
Property Insights of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid
The XLogP value of 0.6347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic 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 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid?
The CAS number of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid is 129761-47-3.
What is the molecular formula of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid?
The molecular formula of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid is C11H15NO4.
What is the molecular weight of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid?
The molecular weight of 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid is 225.10 g/mol.
Where can I buy 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid?
You can request a quote for 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.