2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate
TL;DR: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate (CAS 329933-58-6) is a chemical compound with molecular formula C21H27NO4 and molecular weight 357.19 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)phenyl] heptanoate
Also Known As: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate, [2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] heptanoate, 2-(1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)PHENYL HEPTANOATE, 2-(1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl heptanoate
| Molecular Formula | C21H27NO4 |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 4.242 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.194 |
| Heavy Atoms | 26 |
| Complexity | 660.34357 |
Chemical Identifiers
| CAS Number | 329933-58-6 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=CC=C1N2C(=O)C3CCCCC3C2=O |
Product Overview
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate (CAS 329933-58-6), with molecular formula C21H27NO4 and molecular weight 357.19 g/mol. IUPAC: [2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] heptanoate.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate
Property Insights of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate
The XLogP value of 4.242 indicates that 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate has 0 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 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate?
The CAS number of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate is 329933-58-6.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate?
The molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate is C21H27NO4.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate?
The molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate is 357.19 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate?
You can request a quote for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate 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)phenyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.