4-Cyanocyclopentene
TL;DR: 4-Cyanocyclopentene (CAS 4492-41-5) is a chemical compound with molecular formula C6H7N and molecular weight 93.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopent-3-ene-1-carbonitrile
Also Known As: 4-cyanocyclopentene, Cyclopent-3-ene-1-carbonitrile, 3-Cyclopentene-1-carbonitrile, J2.487.446J, InChI=1/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 1.47618 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 93.057846 |
| Heavy Atoms | 7 |
| Complexity | 110.631935 |
Chemical Identifiers
| CAS Number | 4492-41-5 |
|---|---|
| SMILES | C1C=CCC1C#N |
Product Overview
4-Cyanocyclopentene (CAS 4492-41-5), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: cyclopent-3-ene-1-carbonitrile.
Chemical Property Profile of 4-Cyanocyclopentene
Property Insights of 4-Cyanocyclopentene
The XLogP value of 1.47618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanocyclopentene. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Cyanocyclopentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanocyclopentene 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 4-Cyanocyclopentene?
The CAS number of 4-Cyanocyclopentene is 4492-41-5.
What is the molecular formula of 4-Cyanocyclopentene?
The molecular formula of 4-Cyanocyclopentene is C6H7N.
What is the molecular weight of 4-Cyanocyclopentene?
The molecular weight of 4-Cyanocyclopentene is 93.06 g/mol.
Where can I buy 4-Cyanocyclopentene?
You can request a quote for 4-Cyanocyclopentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanocyclopentene?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanocyclopentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.