3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
TL;DR: 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 478079-06-0) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, 3-(2H-1,3-benzodioxol-5-yl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, 7R-0630, 3-(1,3-benzodioxol-5-yl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid, 3-(1,3-benzodioxol-5-yl)-3-(1-oxoisoindolin-2-yl)propanoic acid
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.5871 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 831.9089 |
Chemical Identifiers
| CAS Number | 478079-06-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N1C(CC(=O)O)C3=CC4=C(C=C3)OCO4 |
Product Overview
3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 478079-06-0), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Property Insights of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
The XLogP value of 2.5871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid has 1 hydrogen bond donor(s) and 4 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 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The CAS number of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 478079-06-0.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is C18H15NO5.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 325.10 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-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 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.