4-戊烯腈
TL;DR: 4-戊烯腈 (CAS 592-51-8) is a chemical compound with molecular formula C5H7N and molecular weight 81.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-戊烯腈
pent-4-enenitrile
Also Known As: 4-PENTENENITRILE, pent-4-enenitrile, Allylacetonitrile, 4-Pentenonitrile, 3-Butenyl cyanide
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 75.0 |
| Boiling Point | 140 °C |
| Density | 0.8239 AT 24 °C |
| Solubility | INSOL IN WATER; MISCIBLE WITH ALCOHOL, ETHER |
| Vapor Pressure | 6.36 [mmHg] |
| Refractive Index | 1.4213 AT 14 °C |
Chemical Identifiers
| CAS Number | 592-51-8 |
|---|---|
| SMILES | C=CCCC#N |
| InChIKey | CFEYBLWMNFZOPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-戊烯腈 (CAS 592-51-8), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: pent-4-enenitrile.
Chemical Property Profile of 4-戊烯腈
Property Insights of 4-戊烯腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-戊烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 4-戊烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-戊烯腈 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 4-戊烯腈?
The CAS number of 4-戊烯腈 is 592-51-8.
What is the molecular formula of 4-戊烯腈?
The molecular formula of 4-戊烯腈 is C5H7N.
What is the molecular weight of 4-戊烯腈?
The molecular weight of 4-戊烯腈 is 81.06 g/mol.
Where can I buy 4-戊烯腈?
You can request a quote for 4-戊烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-戊烯腈?
Yes, KEHONG BIO provides custom synthesis services for 4-戊烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.