3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate
TL;DR: 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate (CAS 866008-22-2) is a chemical compound with molecular formula C20H15NO3S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] benzoate
Also Known As: [3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] benzoate, 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate, 3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-yl benzoate, 3-oxo-2-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-ylbenzoate
| Molecular Formula | C20H15NO3S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 4.2597 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.07727 |
| Heavy Atoms | 25 |
| Complexity | 905.71027 |
Chemical Identifiers
| CAS Number | 866008-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)N2CC4=CC=CS4 |
Product Overview
3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate (CAS 866008-22-2), with molecular formula C20H15NO3S and molecular weight 349.08 g/mol. IUPAC: [3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindol-1-yl] benzoate.
Chemical Property Profile of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate
Property Insights of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate
The XLogP value of 4.2597 indicates that 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate 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 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate?
The CAS number of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate is 866008-22-2.
What is the molecular formula of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate?
The molecular formula of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate is C20H15NO3S.
What is the molecular weight of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate?
The molecular weight of 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate is 349.08 g/mol.
Where can I buy 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate?
You can request a quote for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-2-(2-thienylmethyl)-2,3-dihydro-1H-isoindol-1-yl benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.