pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 305857-31-2) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 1,3-dioxoisoindole-5-carboxylate
Also Known As: pentyl 1,3-dioxoisoindole-5-carboxylate, BAS 00203034, pentyl 1,3-dioxoisoindoline-5-carboxylate, pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate, pentyl 1,3-dioxo-2H-benzo[c]azolidine-5-carboxylate
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.9172 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 536.24756 |
Chemical Identifiers
| CAS Number | 305857-31-2 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC2=C(C=C1)C(=O)NC2=O |
Product Overview
pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 305857-31-2), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: pentyl 1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 1.9172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate has 1 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 pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 305857-31-2.
What is the molecular formula of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C14H15NO4.
What is the molecular weight of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 261.10 g/mol.
Where can I buy pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for pentyl 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 pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for pentyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.