Heptanenitrile, 2-(phenylmethylene)-
TL;DR: Heptanenitrile, 2-(phenylmethylene)- (CAS 58260-82-5) is a chemical compound with molecular formula C14H17N and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-benzylideneheptanenitrile
Also Known As: alpha-Pentylcinnamonitrile, Heptanenitrile, 2-(phenylmethylene)-, (2E)-2-benzylideneheptanenitrile, (E)-2-Pentyl-3-phenylacrylonitrile, (2E)-2-(phenylmethylidene)heptanenitrile
| Molecular Formula | C14H17N |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 4.17388 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.1361 |
| Heavy Atoms | 15 |
| Complexity | 343.3515 |
Chemical Identifiers
| CAS Number | 58260-82-5 |
|---|---|
| SMILES | CCCCC/C(=C\C1=CC=CC=C1)/C#N |
Product Overview
Heptanenitrile, 2-(phenylmethylene)- (CAS 58260-82-5), with molecular formula C14H17N and molecular weight 199.14 g/mol. IUPAC: (2E)-2-benzylideneheptanenitrile.
Chemical Property Profile of Heptanenitrile, 2-(phenylmethylene)-
Property Insights of Heptanenitrile, 2-(phenylmethylene)-
The XLogP value of 4.17388 indicates that Heptanenitrile, 2-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Heptanenitrile, 2-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanenitrile, 2-(phenylmethylene)- 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 Heptanenitrile, 2-(phenylmethylene)-?
The CAS number of Heptanenitrile, 2-(phenylmethylene)- is 58260-82-5.
What is the molecular formula of Heptanenitrile, 2-(phenylmethylene)-?
The molecular formula of Heptanenitrile, 2-(phenylmethylene)- is C14H17N.
What is the molecular weight of Heptanenitrile, 2-(phenylmethylene)-?
The molecular weight of Heptanenitrile, 2-(phenylmethylene)- is 199.14 g/mol.
Where can I buy Heptanenitrile, 2-(phenylmethylene)-?
You can request a quote for Heptanenitrile, 2-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanenitrile, 2-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Heptanenitrile, 2-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.