2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid
TL;DR: 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid (CAS 430429-04-2) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 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)butanoic acid
Also Known As: BAS 02101674, 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)butanoic acid, 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)butanoic acid, 2-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)BUTANOIC ACID
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.0248 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 341.51712 |
Chemical Identifiers
| CAS Number | 430429-04-2 |
|---|---|
| SMILES | CCC(C(=O)O)N1C(=O)C2CCCCC2C1=O |
Product Overview
2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid (CAS 430429-04-2), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)butanoic acid.
Chemical Property Profile of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid
Property Insights of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid
The XLogP value of 1.0248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric 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-isoindol-2-yl)-butyric acid?
The CAS number of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid is 430429-04-2.
What is the molecular formula of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid?
The molecular formula of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid is C12H17NO4.
What is the molecular weight of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid?
The molecular weight of 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid is 239.12 g/mol.
Where can I buy 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid?
You can request a quote for 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric 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-isoindol-2-yl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.