2-(2-氧代吡咯烷-1-基)苯甲腈
TL;DR: 2-(2-氧代吡咯烷-1-基)苯甲腈 (CAS 16240-73-6) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-氧代吡咯烷-1-基)苯甲腈
2-(2-oxopyrrolidin-1-yl)benzonitrile
Also Known As: 2-(2-oxopyrrolidin-1-yl)benzonitrile, 2-(2-Oxo-1-pyrrolidinyl)benzonitrile, 2-(2-oxo-pyrrolidin-1-yl)-benzonitrile, AE-473/30364042, AE-473/30501011
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 16240-73-6 |
|---|---|
| SMILES | C1CC(=O)N(C1)C2=CC=CC=C2C#N |
| InChIKey | JGHOSOKCMDOIKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-氧代吡咯烷-1-基)苯甲腈 (CAS 16240-73-6), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 2-(2-oxopyrrolidin-1-yl)benzonitrile.
Chemical Property Profile of 2-(2-氧代吡咯烷-1-基)苯甲腈
Property Insights of 2-(2-氧代吡咯烷-1-基)苯甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-氧代吡咯烷-1-基)苯甲腈. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(2-氧代吡咯烷-1-基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-氧代吡咯烷-1-基)苯甲腈 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 2-(2-氧代吡咯烷-1-基)苯甲腈?
The CAS number of 2-(2-氧代吡咯烷-1-基)苯甲腈 is 16240-73-6.
What is the molecular formula of 2-(2-氧代吡咯烷-1-基)苯甲腈?
The molecular formula of 2-(2-氧代吡咯烷-1-基)苯甲腈 is C11H10N2O.
What is the molecular weight of 2-(2-氧代吡咯烷-1-基)苯甲腈?
The molecular weight of 2-(2-氧代吡咯烷-1-基)苯甲腈 is 186.08 g/mol.
Where can I buy 2-(2-氧代吡咯烷-1-基)苯甲腈?
You can request a quote for 2-(2-氧代吡咯烷-1-基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-氧代吡咯烷-1-基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-氧代吡咯烷-1-基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.