2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate
TL;DR: 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate (CAS 139122-17-1) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl benzoate
Also Known As: 2-(3-Chloro-2-oxoindolin-4-yl)ethyl benzoate, 4-[2-(BENZOYLOXY)ETHYL]-3-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE, 2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl Benzoate, EC 470-710-7, 2-(3-Chloro-2-oxoindolin-4-yl)ethylbenzoate
Technical Specifications
| Molecular Formula | C17H14ClNO3 |
| Molecular Weight | 315.06622 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.06622 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCC2=C3C(C(=O)NC3=CC=C2)Cl |
| InChIKey | QXZUSCSOBQPDPX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate
Property Insights of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate
The XLogP value of 3.3 indicates that 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate?
The CAS number of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate is 139122-17-1.
What is the molecular formula of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate?
The molecular formula of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate is C17H14ClNO3.
What is the molecular weight of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate?
The molecular weight of 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate is 315.06622 g/mol.
Where can I buy 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate?
You can request a quote for 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate?
Yes, CoreyChem provides custom synthesis services for 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl) ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.