1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one
TL;DR: 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one (CAS 96493-11-7) is a chemical compound with molecular formula C16H13BrN2O and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(3-imino-1H-isoindol-2-yl)ethanone
Also Known As: 1-(4-bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one, 1-(4-bromophenyl)-2-(3-imino-1H-isoindol-2-yl)ethanone
| Molecular Formula | C16H13BrN2O |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 3.47297 |
| Topological Polar Surface Area | 44.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.02112 |
| Heavy Atoms | 20 |
| Complexity | 679.13116 |
Chemical Identifiers
| CAS Number | 96493-11-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=N)N1CC(=O)C3=CC=C(C=C3)Br |
Product Overview
1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one (CAS 96493-11-7), with molecular formula C16H13BrN2O and molecular weight 328.02 g/mol. IUPAC: 1-(4-bromophenyl)-2-(3-imino-1H-isoindol-2-yl)ethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one
Property Insights of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one
The XLogP value of 3.47297 indicates that 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.16 Ų, 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one has 1 hydrogen bond donor(s) and 2 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-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one?
The CAS number of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one is 96493-11-7.
What is the molecular formula of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one?
The molecular formula of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one is C16H13BrN2O.
What is the molecular weight of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one?
The molecular weight of 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one is 328.02 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one?
You can request a quote for 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-(1-iminoisoindolin-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.