2,4-戊二烯腈
TL;DR: 2,4-戊二烯腈 (CAS 1615-70-9) 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.
2,4-戊二烯腈
penta-2,4-dienenitrile
Also Known As: 2,4-Pentadienenitrile, Penta-2,4-dienenitrile, Penta2,4dienenitrile, 1-cyanobuta-1,3-diene, 1-CYANO BUTADIENE
| Molecular Formula | C5H5N |
|---|---|
| Molecular Weight | 79.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 79.0422 |
| Heavy Atoms | 6 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 1615-70-9 |
|---|---|
| SMILES | C=CC=CC#N |
| InChIKey | STSRVFAXSLNLLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-戊二烯腈 (CAS 1615-70-9), with molecular formula C5H5N and molecular weight 79.04 g/mol. IUPAC: penta-2,4-dienenitrile.
Chemical Property Profile of 2,4-戊二烯腈
Property Insights of 2,4-戊二烯腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-戊二烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2,4-戊二烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-戊二烯腈 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 2,4-戊二烯腈?
The CAS number of 2,4-戊二烯腈 is 1615-70-9.
What is the molecular formula of 2,4-戊二烯腈?
The molecular formula of 2,4-戊二烯腈 is C5H5N.
What is the molecular weight of 2,4-戊二烯腈?
The molecular weight of 2,4-戊二烯腈 is 79.04 g/mol.
Where can I buy 2,4-戊二烯腈?
You can request a quote for 2,4-戊二烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-戊二烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2,4-戊二烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.