Cyclopentadienecarbonitrile
TL;DR: Cyclopentadienecarbonitrile (CAS 1273-84-3) is a chemical compound with molecular formula C6H5N and molecular weight 91.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene-1-carbonitrile
Also Known As: cyanoferrocene, Cyclopentadienecarbonitrile, cyanocyclopentadiene, 1,3-Cyclopentadiene-1-carbonitrile, 1-Cyano-1,3-cyclopentadiene
| Molecular Formula | C6H5N |
|---|---|
| Molecular Weight | 91.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.0422 |
| Heavy Atoms | 7 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 1273-84-3 |
|---|---|
| SMILES | C1C=CC=C1C#N |
| InChIKey | KTPNQKDTYCBNCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentadienecarbonitrile (CAS 1273-84-3), with molecular formula C6H5N and molecular weight 91.04 g/mol. IUPAC: cyclopenta-1,3-diene-1-carbonitrile.
Chemical Property Profile of Cyclopentadienecarbonitrile
Property Insights of Cyclopentadienecarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentadienecarbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclopentadienecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentadienecarbonitrile 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 Cyclopentadienecarbonitrile?
The CAS number of Cyclopentadienecarbonitrile is 1273-84-3.
What is the molecular formula of Cyclopentadienecarbonitrile?
The molecular formula of Cyclopentadienecarbonitrile is C6H5N.
What is the molecular weight of Cyclopentadienecarbonitrile?
The molecular weight of Cyclopentadienecarbonitrile is 91.04 g/mol.
Where can I buy Cyclopentadienecarbonitrile?
You can request a quote for Cyclopentadienecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentadienecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentadienecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.