异戊腈
TL;DR: 异戊腈 (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.
异戊腈
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
异戊腈 (CAS 625-28-5), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 3-methylbutanenitrile.
Chemical Property Profile of 异戊腈
Property Insights of 异戊腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊腈. With a topological polar surface area (TPSA) of 23.8 Ų, 异戊腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊腈 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 异戊腈?
The CAS number of 异戊腈 is 625-28-5.
What is the molecular formula of 异戊腈?
The molecular formula of 异戊腈 is C5H9N.
What is the molecular weight of 异戊腈?
The molecular weight of 异戊腈 is 83.07 g/mol.
Where can I buy 异戊腈?
You can request a quote for 异戊腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊腈?
Yes, KEHONG BIO provides custom synthesis services for 异戊腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.