2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 701248-81-9) is a chemical compound with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 2-tert-butyl-1,3-dioxoisoindole-5-carboxylate
Also Known As: (2-chlorophenyl) 2-tert-butyl-1,3-dioxoisoindole-5-carboxylate, 2-chlorophenyl 2-(tert-butyl)-1,3-dioxoisoindoline-5-carboxylate, 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C19H16ClNO4 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.9537 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.07678 |
| Heavy Atoms | 25 |
| Complexity | 898.53735 |
Chemical Identifiers
| CAS Number | 701248-81-9 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC=C3Cl |
Product Overview
2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 701248-81-9), with molecular formula C19H16ClNO4 and molecular weight 357.08 g/mol. IUPAC: (2-chlorophenyl) 2-tert-butyl-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 3.9537 indicates that 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-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 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 701248-81-9.
What is the molecular formula of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C19H16ClNO4.
What is the molecular weight of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 357.08 g/mol.
Where can I buy 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-chlorophenyl 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.