Hexanoylium
TL;DR: Hexanoylium (CAS 41858-86-0) is a chemical compound with molecular formula C6H11O+ and molecular weight 99.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-1-one
Also Known As: Hexanoylium, hexan-1-one, 1-Oxohex-1-ylium, hex-1-ylium, 1-oxo-, Hexylium, 1-oxo- (9CI)
| Molecular Formula | C6H11O+ |
|---|---|
| Molecular Weight | 99.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 99.08099 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
Chemical Identifiers
| CAS Number | 41858-86-0 |
|---|---|
| SMILES | CCCCC[C+]=O |
| InChIKey | RLISVTGTMCREDB-UHFFFAOYSA-N |
Product Overview
Hexanoylium (CAS 41858-86-0), with molecular formula C6H11O+ and molecular weight 99.08 g/mol. IUPAC: hexan-1-one.
Chemical Property Profile of Hexanoylium
Property Insights of Hexanoylium
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoylium. With a topological polar surface area (TPSA) of 17.1 Ų, Hexanoylium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoylium 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 Hexanoylium?
The CAS number of Hexanoylium is 41858-86-0.
What is the molecular formula of Hexanoylium?
The molecular formula of Hexanoylium is C6H11O+.
What is the molecular weight of Hexanoylium?
The molecular weight of Hexanoylium is 99.08 g/mol.
Where can I buy Hexanoylium?
You can request a quote for Hexanoylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoylium?
Yes, KEHONG BIO provides custom synthesis services for Hexanoylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.