5-氧代己腈
TL;DR: 5-氧代己腈 (CAS 10412-98-3) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氧代己腈
5-oxohexanenitrile
Also Known As: 5-Oxohexanenitrile, 5-Ketohexanenitrile, Hexanenitrile, 5-oxo-, 5-Oxohexanonitrile, 4-Acetylbutyronitrile
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 10412-98-3 |
|---|---|
| SMILES | CC(=O)CCCC#N |
| InChIKey | AEVMBQIIZGKQRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氧代己腈 (CAS 10412-98-3), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 5-oxohexanenitrile.
Chemical Property Profile of 5-氧代己腈
Property Insights of 5-氧代己腈
The XLogP value of -0.1 indicates that 5-氧代己腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.9 Ų, 5-氧代己腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氧代己腈 has 0 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 5-氧代己腈?
The CAS number of 5-氧代己腈 is 10412-98-3.
What is the molecular formula of 5-氧代己腈?
The molecular formula of 5-氧代己腈 is C6H9NO.
What is the molecular weight of 5-氧代己腈?
The molecular weight of 5-氧代己腈 is 111.07 g/mol.
Where can I buy 5-氧代己腈?
You can request a quote for 5-氧代己腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氧代己腈?
Yes, KEHONG BIO provides custom synthesis services for 5-氧代己腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.