4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 524044-81-3) is a chemical compound with molecular formula C22H14ClNO4 and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)benzoate
Also Known As: 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate, AJ-292/41945154, (4-chlorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)benzoate
| Molecular Formula | C22H14ClNO4 |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 4.4976 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.06113 |
| Heavy Atoms | 28 |
| Complexity | 1056.7007 |
Chemical Identifiers
| CAS Number | 524044-81-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)OCC4=CC=C(C=C4)Cl |
Product Overview
4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 524044-81-3), with molecular formula C22H14ClNO4 and molecular weight 391.06 g/mol. IUPAC: (4-chlorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 4.4976 indicates that 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-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 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-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 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 524044-81-3.
What is the molecular formula of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C22H14ClNO4.
What is the molecular weight of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 391.06 g/mol.
Where can I buy 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-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 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.