(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate
TL;DR: (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate (CAS 536722-02-8) is a chemical compound with molecular formula C14H9NO4S and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl thiophene-2-carboxylate
Also Known As: (1,3-dioxo-2-isoindolinyl)methyl 2-thenoate, (1,3-dioxoisoindol-2-yl)methyl thiophene-2-carboxylate, (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate, thiophene-2-carboxylic acid phthalimidomethyl ester, (1,3-dioxoisoindolin-2-yl)methyl thiophene-2-carboxylate
| Molecular Formula | C14H9NO4S |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.1586 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.02524 |
| Heavy Atoms | 20 |
| Complexity | 657.9593 |
Chemical Identifiers
| CAS Number | 536722-02-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CC=CS3 |
Product Overview
(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate (CAS 536722-02-8), with molecular formula C14H9NO4S and molecular weight 287.03 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl thiophene-2-carboxylate.
Chemical Property Profile of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate
Property Insights of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate
The XLogP value of 2.1586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate?
The CAS number of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate is 536722-02-8.
What is the molecular formula of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate?
The molecular formula of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate is C14H9NO4S.
What is the molecular weight of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate?
The molecular weight of (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate is 287.03 g/mol.
Where can I buy (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate?
You can request a quote for (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.