2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-
TL;DR: 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- (CAS 53243-59-7) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-methyl-5-phenylpent-2-enenitrile
Also Known As: citronitril, (Z)-3-Methyl-5-phenylpent-2-enenitrile, 5-cis-Octen-1-yne, EINECS 258-446-9, (2Z)-3-Methyl-5-phenyl-2-pentenenitrile
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.08908 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 316.72775 |
Chemical Identifiers
| CAS Number | 53243-59-7 |
|---|---|
| SMILES | C/C(=C/C#N)/CCC1=CC=CC=C1 |
Product Overview
2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- (CAS 53243-59-7), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: (Z)-3-methyl-5-phenylpent-2-enenitrile.
Chemical Property Profile of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-
Property Insights of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-
The XLogP value of 3.08908 indicates that 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- 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-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-?
The CAS number of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- is 53243-59-7.
What is the molecular formula of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-?
The molecular formula of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- is C12H13N.
What is the molecular weight of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-?
The molecular weight of 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- is 171.10 g/mol.
Where can I buy 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-?
You can request a quote for 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenenitrile, 3-methyl-5-phenyl-, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.