3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate
TL;DR: 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate (CAS 55740-87-9) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-2-phenyl-1H-isoindol-1-yl) acetate
Also Known As: 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate, (3-oxo-2-phenyl-1H-isoindol-1-yl) acetate, (3-oxo-2-phenyl-isoindolin-1-yl) acetate, J3.001.188K, 2-Phenyl-3-acetoxy-2,3-dihydro-1H-isoindole-1-one
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.9087 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 666.432 |
Chemical Identifiers
| CAS Number | 55740-87-9 |
|---|---|
| SMILES | CC(=O)OC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3 |
Product Overview
3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate (CAS 55740-87-9), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: (3-oxo-2-phenyl-1H-isoindol-1-yl) acetate.
Chemical Property Profile of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate
Property Insights of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate
The XLogP value of 2.9087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate. With a topological polar surface area (TPSA) of 46.61 Ų, 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate has 0 hydrogen bond donor(s) and 3 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-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate?
The CAS number of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate is 55740-87-9.
What is the molecular formula of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate?
The molecular formula of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate is C16H13NO3.
What is the molecular weight of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate?
The molecular weight of 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate is 267.09 g/mol.
Where can I buy 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate?
You can request a quote for 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate 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-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-2-phenyl-2,3-dihydro-1H-isoindol-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.