Isovaleronitrile
TL;DR: Isovaleronitrile (CAS 625-28-5) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutanenitrile
Also Known As: ISOVALERONITRILE, 3-Methylbutanenitrile, Isoamylnitrile, Isobutyl cyanide, Isopentane nitrile
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 625-28-5 |
|---|---|
| SMILES | CC(C)CC#N |
| InChIKey | QHDRKFYEGYYIIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isovaleronitrile (CAS 625-28-5), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 3-methylbutanenitrile.
Chemical Property Profile of Isovaleronitrile
Property Insights of Isovaleronitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovaleronitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Isovaleronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovaleronitrile 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 Isovaleronitrile?
The CAS number of Isovaleronitrile is 625-28-5.
What is the molecular formula of Isovaleronitrile?
The molecular formula of Isovaleronitrile is C5H9N.
What is the molecular weight of Isovaleronitrile?
The molecular weight of Isovaleronitrile is 83.07 g/mol.
Where can I buy Isovaleronitrile?
You can request a quote for Isovaleronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovaleronitrile?
Yes, KEHONG BIO provides custom synthesis services for Isovaleronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.