3-戊烯腈
TL;DR: 3-戊烯腈 (CAS 4635-87-4) 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.
3-戊烯腈
pent-3-enenitrile
Also Known As: 3-PENTENENITRILE, pent-3-enenitrile, 3-Pentenonitrile, cis-3-Pentenenitrile, 3-Pentenenitrile, (3Z)-
| 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 | 1 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
| Flash Point | 40 °C |
| Vapor Pressure | 4.05 [mmHg] |
Chemical Identifiers
| CAS Number | 4635-87-4 |
|---|---|
| SMILES | CC=CCC#N |
| InChIKey | UVKXJAUUKPDDNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-戊烯腈 (CAS 4635-87-4), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: pent-3-enenitrile.
Chemical Property Profile of 3-戊烯腈
Property Insights of 3-戊烯腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-戊烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 3-戊烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-戊烯腈?
The CAS number of 3-戊烯腈 is 4635-87-4.
What is the molecular formula of 3-戊烯腈?
The molecular formula of 3-戊烯腈 is C5H7N.
What is the molecular weight of 3-戊烯腈?
The molecular weight of 3-戊烯腈 is 81.06 g/mol.
Where can I buy 3-戊烯腈?
You can request a quote for 3-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 3-戊烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-戊烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.