cis-2,4-Pentadienenitrile
TL;DR: cis-2,4-Pentadienenitrile (CAS 2180-69-0) is a chemical compound with molecular formula C5H5N and molecular weight 79.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-penta-2,4-dienenitrile
Also Known As: cis-2,4-Pentadienenitrile, 1-Cyanobutadiene, 2,4-Pentadienenitrile, Penta-2,4-dienenitrile, 1-Cyano-1,3-butadiene
| Molecular Formula | C5H5N |
|---|---|
| Molecular Weight | 79.04 g/mol |
| LogP | 1.25218 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 79.0422 |
| Heavy Atoms | 6 |
| Complexity | 94.9963 |
Chemical Identifiers
| CAS Number | 2180-69-0 |
|---|---|
| SMILES | C=C/C=C\C#N |
Product Overview
cis-2,4-Pentadienenitrile (CAS 2180-69-0), with molecular formula C5H5N and molecular weight 79.04 g/mol. IUPAC: (2Z)-penta-2,4-dienenitrile.
Chemical Property Profile of cis-2,4-Pentadienenitrile
Property Insights of cis-2,4-Pentadienenitrile
The XLogP value of 1.25218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2,4-Pentadienenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, cis-2,4-Pentadienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2,4-Pentadienenitrile 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 cis-2,4-Pentadienenitrile?
The CAS number of cis-2,4-Pentadienenitrile is 2180-69-0.
What is the molecular formula of cis-2,4-Pentadienenitrile?
The molecular formula of cis-2,4-Pentadienenitrile is C5H5N.
What is the molecular weight of cis-2,4-Pentadienenitrile?
The molecular weight of cis-2,4-Pentadienenitrile is 79.04 g/mol.
Where can I buy cis-2,4-Pentadienenitrile?
You can request a quote for cis-2,4-Pentadienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2,4-Pentadienenitrile?
Yes, KEHONG BIO provides custom synthesis services for cis-2,4-Pentadienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.