4-Methylpent-4-enenitrile
TL;DR: 4-Methylpent-4-enenitrile (CAS 34998-36-2) 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-4-enenitrile
Also Known As: 4-methylpent-4-enenitrile, 3-methylenebutanecarbonitrile, 4-methyl-4-Pentenenitrile, 4-Pentenenitrile, 4-methyl-, 856-464-7
| Molecular Formula | C6H9N |
|---|---|
| Molecular Weight | 95.07 g/mol |
| LogP | 1.86628 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 95.0735 |
| Heavy Atoms | 7 |
| Complexity | 97.23787 |
Chemical Identifiers
| CAS Number | 34998-36-2 |
|---|---|
| SMILES | CC(=C)CCC#N |
Product Overview
4-Methylpent-4-enenitrile (CAS 34998-36-2), with molecular formula C6H9N and molecular weight 95.07 g/mol. IUPAC: 4-methylpent-4-enenitrile.
Chemical Property Profile of 4-Methylpent-4-enenitrile
Property Insights of 4-Methylpent-4-enenitrile
The XLogP value of 1.86628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpent-4-enenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Methylpent-4-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpent-4-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-4-enenitrile?
The CAS number of 4-Methylpent-4-enenitrile is 34998-36-2.
What is the molecular formula of 4-Methylpent-4-enenitrile?
The molecular formula of 4-Methylpent-4-enenitrile is C6H9N.
What is the molecular weight of 4-Methylpent-4-enenitrile?
The molecular weight of 4-Methylpent-4-enenitrile is 95.07 g/mol.
Where can I buy 4-Methylpent-4-enenitrile?
You can request a quote for 4-Methylpent-4-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-4-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpent-4-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.