4-Phthalimidobutyronitrile
TL;DR: 4-Phthalimidobutyronitrile (CAS 32121-27-0) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butanenitrile
Also Known As: 4-Phthalimidobutyronitrile, 4-(1,3-dioxoisoindol-2-yl)butanenitrile, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanenitrile, 4-(1,3-Dioxoisoindolin-2-yl)butanenitrile, N-(3-Cyanopropyl)phthalimide
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 32121-27-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC#N |
| InChIKey | VORDNGFQVIFSBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phthalimidobutyronitrile (CAS 32121-27-0), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butanenitrile.
Chemical Property Profile of 4-Phthalimidobutyronitrile
Property Insights of 4-Phthalimidobutyronitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phthalimidobutyronitrile. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phthalimidobutyronitrile. Following Lipinski's Rule of Five, 4-Phthalimidobutyronitrile 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 4-Phthalimidobutyronitrile?
The CAS number of 4-Phthalimidobutyronitrile is 32121-27-0.
What is the molecular formula of 4-Phthalimidobutyronitrile?
The molecular formula of 4-Phthalimidobutyronitrile is C12H10N2O2.
What is the molecular weight of 4-Phthalimidobutyronitrile?
The molecular weight of 4-Phthalimidobutyronitrile is 214.07 g/mol.
Where can I buy 4-Phthalimidobutyronitrile?
You can request a quote for 4-Phthalimidobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phthalimidobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phthalimidobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.