Hydrocinnamonitrile, beta-ethyl-beta-methyl-
TL;DR: Hydrocinnamonitrile, beta-ethyl-beta-methyl- (CAS 50843-73-7) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-phenylpentanenitrile
Also Known As: 3-methyl-3-phenylpentanenitrile, Hydrocinnamonitrile, beta-ethyl-beta-methyl-, Hydrocinnamonitrile, .beta.-ethyl-.beta.-methyl
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 50843-73-7 |
|---|---|
| SMILES | CCC(C)(CC#N)C1=CC=CC=C1 |
| InChIKey | XWSORJFXTDXNIZ-UHFFFAOYSA-N |
Product Overview
Hydrocinnamonitrile, beta-ethyl-beta-methyl- (CAS 50843-73-7), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 3-methyl-3-phenylpentanenitrile.
Chemical Property Profile of Hydrocinnamonitrile, beta-ethyl-beta-methyl-
Property Insights of Hydrocinnamonitrile, beta-ethyl-beta-methyl-
The XLogP value of 3.3 indicates that Hydrocinnamonitrile, beta-ethyl-beta-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Hydrocinnamonitrile, beta-ethyl-beta-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamonitrile, beta-ethyl-beta-methyl- 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 Hydrocinnamonitrile, beta-ethyl-beta-methyl-?
The CAS number of Hydrocinnamonitrile, beta-ethyl-beta-methyl- is 50843-73-7.
What is the molecular formula of Hydrocinnamonitrile, beta-ethyl-beta-methyl-?
The molecular formula of Hydrocinnamonitrile, beta-ethyl-beta-methyl- is C12H15N.
What is the molecular weight of Hydrocinnamonitrile, beta-ethyl-beta-methyl-?
The molecular weight of Hydrocinnamonitrile, beta-ethyl-beta-methyl- is 173.12 g/mol.
Where can I buy Hydrocinnamonitrile, beta-ethyl-beta-methyl-?
You can request a quote for Hydrocinnamonitrile, beta-ethyl-beta-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamonitrile, beta-ethyl-beta-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamonitrile, beta-ethyl-beta-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.