2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
TL;DR: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid (CAS 357932-99-1) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 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)-3-phenylpropanoic acid
Also Known As: BAS 02101675, AJ-292/14596081, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid, 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)-3-phenylpropanoic acid, 2-(1,3-Dioxo-octahydro-isoindol-2-yl)-3-phenyl-propionic acid
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 1.8575 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 573.93634 |
Chemical Identifiers
| CAS Number | 357932-99-1 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)O |
Product Overview
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid (CAS 357932-99-1), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
Property Insights of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
The XLogP value of 1.8575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic 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-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid?
The CAS number of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid is 357932-99-1.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid?
The molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid is C17H19NO4.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid?
The molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid is 301.13 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid?
You can request a quote for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic 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-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.