Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate
TL;DR: Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-41-7) is a chemical compound with molecular formula C23H24ClNO4 and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate, heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate, heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate, 2(3-CL-4-ME-PH)1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID HEPTYL ESTER, heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C23H24ClNO4 |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 5.57622 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.13937 |
| Heavy Atoms | 29 |
| Complexity | 953.88916 |
Chemical Identifiers
| CAS Number | 351994-41-7 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl |
Product Overview
Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate (CAS 351994-41-7), with molecular formula C23H24ClNO4 and molecular weight 413.14 g/mol. IUPAC: heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate
Property Insights of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate
The XLogP value of 5.57622 indicates that Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate 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-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate. Following Lipinski's Rule of Five, Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate 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-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate?
The CAS number of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate is 351994-41-7.
What is the molecular formula of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate?
The molecular formula of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate is C23H24ClNO4.
What is the molecular weight of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate?
The molecular weight of Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate is 413.14 g/mol.
Where can I buy Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate?
You can request a quote for Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate 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-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindoline-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.