cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 893780-55-7) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, A4146/0176645, cyclopentyl 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate, CYCLOPENTYL 4-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)BENZOATE
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.4656 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 666.15265 |
Chemical Identifiers
| CAS Number | 893780-55-7 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O |
Product Overview
cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 893780-55-7), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: cyclopentyl 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
Chemical Property Profile of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.4656 indicates that cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 893780-55-7.
What is the molecular formula of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C20H23NO4.
What is the molecular weight of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 341.16 g/mol.
Where can I buy cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for cyclopentyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.