Benzonitrile, 3-ethyl-
TL;DR: Benzonitrile, 3-ethyl- (CAS 34136-57-7) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylbenzonitrile
Also Known As: 3-Ethylbenzonitrile, Benzonitrile, 3-ethyl-, 3-Ethyl-benzonitrile, m-Ethylbenzonitrile, 3-Aethylbenzonitril
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 34136-57-7 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)C#N |
| InChIKey | WEDBHNMGFLTQNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 3-ethyl- (CAS 34136-57-7), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 3-ethylbenzonitrile.
Chemical Property Profile of Benzonitrile, 3-ethyl-
Property Insights of Benzonitrile, 3-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-ethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, Benzonitrile, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-ethyl- has 0 hydrogen bond donor(s) and 1 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 Benzonitrile, 3-ethyl-?
The CAS number of Benzonitrile, 3-ethyl- is 34136-57-7.
What is the molecular formula of Benzonitrile, 3-ethyl-?
The molecular formula of Benzonitrile, 3-ethyl- is C9H9N.
What is the molecular weight of Benzonitrile, 3-ethyl-?
The molecular weight of Benzonitrile, 3-ethyl- is 131.07 g/mol.
Where can I buy Benzonitrile, 3-ethyl-?
You can request a quote for Benzonitrile, 3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.