2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate
TL;DR: 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate (CAS 477871-68-4) is a chemical compound with molecular formula C24H20ClNO3 and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 2-chlorobenzoate
Also Known As: [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 2-chlorobenzoate, 1R-0698, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzoate, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropyl2-chlorobenzoate
| Molecular Formula | C24H20ClNO3 |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.7641 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.11316 |
| Heavy Atoms | 29 |
| Complexity | 1035.0604 |
Chemical Identifiers
| CAS Number | 477871-68-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N1C(CC3=CC=CC=C3)COC(=O)C4=CC=CC=C4Cl |
Product Overview
2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate (CAS 477871-68-4), with molecular formula C24H20ClNO3 and molecular weight 405.11 g/mol. IUPAC: [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 2-chlorobenzoate.
Chemical Property Profile of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate
Property Insights of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate
The XLogP value of 4.7641 indicates that 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate has 0 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-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate?
The CAS number of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate is 477871-68-4.
What is the molecular formula of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate?
The molecular formula of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate is C24H20ClNO3.
What is the molecular weight of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate?
The molecular weight of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate is 405.11 g/mol.
Where can I buy 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate?
You can request a quote for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 2-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.