Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate
TL;DR: Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate (CAS 330979-97-0) is a chemical compound with molecular formula C26H23NO5 and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate
Also Known As: BAS 00315752, pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate, pentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate, pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxylate, pentyl 1,3-dioxo-2-(4-phenoxyphenyl)benzo[c]azoline-5-carboxylate
| Molecular Formula | C26H23NO5 |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 5.6265 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.15762 |
| Heavy Atoms | 32 |
| Complexity | 1138.6387 |
Chemical Identifiers
| CAS Number | 330979-97-0 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate (CAS 330979-97-0), with molecular formula C26H23NO5 and molecular weight 429.16 g/mol. IUPAC: pentyl 1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carboxylate.
Chemical Property Profile of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate
Property Insights of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate
The XLogP value of 5.6265 indicates that Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate?
The CAS number of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate is 330979-97-0.
What is the molecular formula of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate?
The molecular formula of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate is C26H23NO5.
What is the molecular weight of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate?
The molecular weight of Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate is 429.16 g/mol.
Where can I buy Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate?
You can request a quote for Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.