Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
TL;DR: Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 313962-63-9) is a chemical compound with molecular formula C22H21Cl2NO4 and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate, heptyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate, heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C22H21Cl2NO4 |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 5.9212 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.08478 |
| Heavy Atoms | 29 |
| Complexity | 957.8236 |
Chemical Identifiers
| CAS Number | 313962-63-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate (CAS 313962-63-9), with molecular formula C22H21Cl2NO4 and molecular weight 433.08 g/mol. IUPAC: heptyl 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
Property Insights of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate
The XLogP value of 5.9212 indicates that Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate 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 Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The CAS number of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate is 313962-63-9.
What is the molecular formula of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular formula of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate is C22H21Cl2NO4.
What is the molecular weight of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
The molecular weight of Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate is 433.08 g/mol.
Where can I buy Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
You can request a quote for Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.