4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile
TL;DR: 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile (CAS 213978-36-0) is a chemical compound with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile
Also Known As: 4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile, 3-bromo-1-(4-cyanophenyl)pyrrolidin-2-one, 4-(2-Oxo-3-bromopyrrolizino)benzonitrile, 4-(3-bromo-2-oxo-pyrrolidin-1-yl)benzonitrile, J1.381.001J
| Molecular Formula | C11H9BrN2O |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 2.05848 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.98984 |
| Heavy Atoms | 15 |
| Complexity | 421.20923 |
Chemical Identifiers
| CAS Number | 213978-36-0 |
|---|---|
| SMILES | C1CN(C(=O)C1Br)C2=CC=C(C=C2)C#N |
Product Overview
4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile (CAS 213978-36-0), with molecular formula C11H9BrN2O and molecular weight 263.99 g/mol. IUPAC: 4-(3-bromo-2-oxopyrrolidin-1-yl)benzonitrile.
Chemical Property Profile of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile
Property Insights of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile
The XLogP value of 2.05848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile 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 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile?
The CAS number of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile is 213978-36-0.
What is the molecular formula of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile?
The molecular formula of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile is C11H9BrN2O.
What is the molecular weight of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile?
The molecular weight of 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile is 263.99 g/mol.
Where can I buy 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile?
You can request a quote for 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromo-2-oxopyrrolidin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.