Valeronitrile, 3-ethyl-3-phenyl-
TL;DR: Valeronitrile, 3-ethyl-3-phenyl- (CAS 73840-27-4) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-phenylpentanenitrile
Also Known As: 3-Ethyl-3-phenylvaleronitrile, Valeronitrile, 3-ethyl-3-phenyl-, 3-ethyl-3-phenylpentanenitrile, Benzenepropanenitrile, .beta.,.beta.-diethyl-, RefChem:388302
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.65808 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 303.75748 |
Chemical Identifiers
| CAS Number | 73840-27-4 |
|---|---|
| SMILES | CCC(CC)(CC#N)C1=CC=CC=C1 |
Product Overview
Valeronitrile, 3-ethyl-3-phenyl- (CAS 73840-27-4), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 3-ethyl-3-phenylpentanenitrile.
Chemical Property Profile of Valeronitrile, 3-ethyl-3-phenyl-
Property Insights of Valeronitrile, 3-ethyl-3-phenyl-
The XLogP value of 3.65808 indicates that Valeronitrile, 3-ethyl-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Valeronitrile, 3-ethyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valeronitrile, 3-ethyl-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 Valeronitrile, 3-ethyl-3-phenyl-?
The CAS number of Valeronitrile, 3-ethyl-3-phenyl- is 73840-27-4.
What is the molecular formula of Valeronitrile, 3-ethyl-3-phenyl-?
The molecular formula of Valeronitrile, 3-ethyl-3-phenyl- is C13H17N.
What is the molecular weight of Valeronitrile, 3-ethyl-3-phenyl-?
The molecular weight of Valeronitrile, 3-ethyl-3-phenyl- is 187.14 g/mol.
Where can I buy Valeronitrile, 3-ethyl-3-phenyl-?
You can request a quote for Valeronitrile, 3-ethyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeronitrile, 3-ethyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Valeronitrile, 3-ethyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.