2-Butenenitrile,3-phenyl-
TL;DR: 2-Butenenitrile,3-phenyl- (CAS 14368-40-2) is a chemical compound with molecular formula C10H9N and molecular weight 143.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbut-2-enenitrile
Also Known As: 3-phenylbut-2-enenitrile, 2-BUTENENITRILE,3-PHENYL-, 3-Methyl-3-phenylpropenenitrile, 2-Butenenitrile, 3-phenyl-, (2Z)-
| Molecular Formula | C10H9N |
|---|---|
| Molecular Weight | 143.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.0735 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 14368-40-2 |
|---|---|
| SMILES | CC(=CC#N)C1=CC=CC=C1 |
| InChIKey | TZRCAFZIOSMMHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenenitrile,3-phenyl- (CAS 14368-40-2), with molecular formula C10H9N and molecular weight 143.07 g/mol. IUPAC: 3-phenylbut-2-enenitrile.
Chemical Property Profile of 2-Butenenitrile,3-phenyl-
Property Insights of 2-Butenenitrile,3-phenyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenenitrile,3-phenyl-. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Butenenitrile,3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenenitrile,3-phenyl- 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 2-Butenenitrile,3-phenyl-?
The CAS number of 2-Butenenitrile,3-phenyl- is 14368-40-2.
What is the molecular formula of 2-Butenenitrile,3-phenyl-?
The molecular formula of 2-Butenenitrile,3-phenyl- is C10H9N.
What is the molecular weight of 2-Butenenitrile,3-phenyl-?
The molecular weight of 2-Butenenitrile,3-phenyl- is 143.07 g/mol.
Where can I buy 2-Butenenitrile,3-phenyl-?
You can request a quote for 2-Butenenitrile,3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenenitrile,3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenenitrile,3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.