Oct-1-ylium, 1-oxo-
TL;DR: Oct-1-ylium, 1-oxo- (CAS 185320-95-0) is a chemical compound with molecular formula C8H15O+ and molecular weight 127.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-1-one
Also Known As: octan-1-one, oct-1-ylium, 1-oxo-, 1-Oxooct-1-ylium, Octylium, 1-oxo- (9CI)
| Molecular Formula | C8H15O+ |
|---|---|
| Molecular Weight | 127.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 127.11229 |
| Heavy Atoms | 9 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 185320-95-0 |
|---|---|
| SMILES | CCCCCCC[C+]=O |
| InChIKey | OIWPRUZLCLWHRD-UHFFFAOYSA-N |
Product Overview
Oct-1-ylium, 1-oxo- (CAS 185320-95-0), with molecular formula C8H15O+ and molecular weight 127.11 g/mol. IUPAC: octan-1-one.
Chemical Property Profile of Oct-1-ylium, 1-oxo-
Property Insights of Oct-1-ylium, 1-oxo-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oct-1-ylium, 1-oxo-. With a topological polar surface area (TPSA) of 17.1 Ų, Oct-1-ylium, 1-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-1-ylium, 1-oxo- 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 Oct-1-ylium, 1-oxo-?
The CAS number of Oct-1-ylium, 1-oxo- is 185320-95-0.
What is the molecular formula of Oct-1-ylium, 1-oxo-?
The molecular formula of Oct-1-ylium, 1-oxo- is C8H15O+.
What is the molecular weight of Oct-1-ylium, 1-oxo-?
The molecular weight of Oct-1-ylium, 1-oxo- is 127.11 g/mol.
Where can I buy Oct-1-ylium, 1-oxo-?
You can request a quote for Oct-1-ylium, 1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oct-1-ylium, 1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Oct-1-ylium, 1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.