4-Methylpent-3-enenitrile
TL;DR: 4-Methylpent-3-enenitrile (CAS 4786-23-6) is a chemical compound with molecular formula C6H9N and molecular weight 95.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-3-enenitrile
Also Known As: 4-methylpent-3-enenitrile, 4-methyl-3-penetenenitrile, 4-methyl-3-Pentenenitrile, 3-pentenenitrile, 4-methyl-, RefChem:294622
| Molecular Formula | C6H9N |
|---|---|
| Molecular Weight | 95.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 95.0735 |
| Heavy Atoms | 7 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4786-23-6 |
|---|---|
| SMILES | CC(=CCC#N)C |
| InChIKey | AYDNYRHVOPYCDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylpent-3-enenitrile (CAS 4786-23-6), with molecular formula C6H9N and molecular weight 95.07 g/mol. IUPAC: 4-methylpent-3-enenitrile.
Chemical Property Profile of 4-Methylpent-3-enenitrile
Property Insights of 4-Methylpent-3-enenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpent-3-enenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Methylpent-3-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpent-3-enenitrile 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-Methylpent-3-enenitrile?
The CAS number of 4-Methylpent-3-enenitrile is 4786-23-6.
What is the molecular formula of 4-Methylpent-3-enenitrile?
The molecular formula of 4-Methylpent-3-enenitrile is C6H9N.
What is the molecular weight of 4-Methylpent-3-enenitrile?
The molecular weight of 4-Methylpent-3-enenitrile is 95.07 g/mol.
Where can I buy 4-Methylpent-3-enenitrile?
You can request a quote for 4-Methylpent-3-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpent-3-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpent-3-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.