3-Hydroxy-4-pentenenitrile
TL;DR: 3-Hydroxy-4-pentenenitrile (CAS 27451-36-1) is a chemical compound with molecular formula C5H7NO and molecular weight 97.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypent-4-enenitrile
Also Known As: 3-hydroxypent-4-enenitrile, 1-Cyano-2-hydroxy-3-butene, crambene, elbfluorene, 3-Hydroxy-4-pentenenitrile
| Molecular Formula | C5H7NO |
|---|---|
| Molecular Weight | 97.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.052765 |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 27451-36-1 |
|---|---|
| SMILES | C=CC(CC#N)O |
| InChIKey | PBCLOVRWBLGJQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-4-pentenenitrile (CAS 27451-36-1), with molecular formula C5H7NO and molecular weight 97.05 g/mol. IUPAC: 3-hydroxypent-4-enenitrile.
Chemical Property Profile of 3-Hydroxy-4-pentenenitrile
Property Insights of 3-Hydroxy-4-pentenenitrile
The XLogP value of -0.1 indicates that 3-Hydroxy-4-pentenenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxy-4-pentenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-pentenenitrile has 1 hydrogen bond donor(s) and 2 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-Hydroxy-4-pentenenitrile?
The CAS number of 3-Hydroxy-4-pentenenitrile is 27451-36-1.
What is the molecular formula of 3-Hydroxy-4-pentenenitrile?
The molecular formula of 3-Hydroxy-4-pentenenitrile is C5H7NO.
What is the molecular weight of 3-Hydroxy-4-pentenenitrile?
The molecular weight of 3-Hydroxy-4-pentenenitrile is 97.05 g/mol.
Where can I buy 3-Hydroxy-4-pentenenitrile?
You can request a quote for 3-Hydroxy-4-pentenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-pentenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-pentenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.