Isoimide
TL;DR: Isoimide (CAS 65949-49-7) is a chemical compound with molecular formula C14H12BrNO2 and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Also Known As: Isoimide, N-(Bromophenyl)-3,4,5,6-tetrahydroisophthalimide, 3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one, 3-(4-bromophenyl)imino-4,5,6,7-tetrahydroisobenzofuran-1-one, 3-(4-Bromophenylimino)-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one
| Molecular Formula | C14H12BrNO2 |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.00513 |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 65949-49-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC3=CC=C(C=C3)Br)OC2=O |
| InChIKey | VZUHQRBBQSLSHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoimide (CAS 65949-49-7), with molecular formula C14H12BrNO2 and molecular weight 305.01 g/mol. IUPAC: 3-(4-bromophenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one.
Chemical Property Profile of Isoimide
Property Insights of Isoimide
The XLogP value of 3.8 indicates that Isoimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Isoimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoimide 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 Isoimide?
The CAS number of Isoimide is 65949-49-7.
What is the molecular formula of Isoimide?
The molecular formula of Isoimide is C14H12BrNO2.
What is the molecular weight of Isoimide?
The molecular weight of Isoimide is 305.01 g/mol.
Where can I buy Isoimide?
You can request a quote for Isoimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoimide?
Yes, KEHONG BIO provides custom synthesis services for Isoimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.