N-(4-Bromobutyl)phthalimide
TL;DR: N-(4-Bromobutyl)phthalimide (CAS 5394-18-3) is a chemical compound with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutyl)isoindole-1,3-dione
Also Known As: N-(4-Bromobutyl)phthalimide, 2-(4-Bromobutyl)isoindoline-1,3-dione, iso-LSD, PHTHALIMIDE, N-(4-Bromobutyl)
| Molecular Formula | C12H12BrNO2 |
|---|---|
| Molecular Weight | 281.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.00513 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 5394-18-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCBr |
| InChIKey | UXFWTIGUWHJKDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Bromobutyl)phthalimide (CAS 5394-18-3), with molecular formula C12H12BrNO2 and molecular weight 281.01 g/mol. IUPAC: 2-(4-bromobutyl)isoindole-1,3-dione.
Chemical Property Profile of N-(4-Bromobutyl)phthalimide
Property Insights of N-(4-Bromobutyl)phthalimide
The XLogP value of 3.0 indicates that N-(4-Bromobutyl)phthalimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, N-(4-Bromobutyl)phthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromobutyl)phthalimide has 0 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 N-(4-Bromobutyl)phthalimide?
The CAS number of N-(4-Bromobutyl)phthalimide is 5394-18-3.
What is the molecular formula of N-(4-Bromobutyl)phthalimide?
The molecular formula of N-(4-Bromobutyl)phthalimide is C12H12BrNO2.
What is the molecular weight of N-(4-Bromobutyl)phthalimide?
The molecular weight of N-(4-Bromobutyl)phthalimide is 281.01 g/mol.
Where can I buy N-(4-Bromobutyl)phthalimide?
You can request a quote for N-(4-Bromobutyl)phthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromobutyl)phthalimide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromobutyl)phthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.