2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate
TL;DR: 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate (CAS 1005262-76-9) is a chemical compound with molecular formula C20H17NO4S and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] thiophene-2-carboxylate
Also Known As: 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate, [2-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] thiophene-2-carboxylate, 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 2-thiophenecarboxylate, 2-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)phenyl thiophene-2-carboxylate
| Molecular Formula | C20H17NO4S |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 3.6689 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.08783 |
| Heavy Atoms | 26 |
| Complexity | 902.2948 |
Chemical Identifiers
| CAS Number | 1005262-76-9 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=CS4 |
Product Overview
2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate (CAS 1005262-76-9), with molecular formula C20H17NO4S and molecular weight 367.09 g/mol. IUPAC: [2-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] thiophene-2-carboxylate.
Chemical Property Profile of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate
Property Insights of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate
The XLogP value of 3.6689 indicates that 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-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-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 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 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate?
The CAS number of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate is 1005262-76-9.
What is the molecular formula of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate?
The molecular formula of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate is C20H17NO4S.
What is the molecular weight of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate?
The molecular weight of 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate is 367.09 g/mol.
Where can I buy 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate?
You can request a quote for 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 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 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.