Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
TL;DR: Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- (CAS 3921-97-9) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione
Also Known As: 4-pyrrolidino-2-butynyl acetate, N-[4- -2-butynyl]phthalimide, Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-, N-(4-Pyrrolidin-1'-ylbut-2-ynyl)phthalimide, 5-21-11-00026 (Beilstein Handbook Reference)
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 3921-97-9 |
|---|---|
| SMILES | C1CCN(C1)CC#CCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | FLZKUBUNEBRGJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- (CAS 3921-97-9), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione.
Chemical Property Profile of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
Property Insights of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-. With a topological polar surface area (TPSA) of 40.6 Ų, Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- 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 Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-?
The CAS number of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- is 3921-97-9.
What is the molecular formula of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-?
The molecular formula of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- is C16H16N2O2.
What is the molecular weight of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-?
The molecular weight of Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- is 268.12 g/mol.
Where can I buy Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-?
You can request a quote for Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phthalimide, N-(4-(1-pyrrolidinyl)-2-butynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.