2-Cyclohexen-1-one, 4-butyl-3-methoxy-
TL;DR: 2-Cyclohexen-1-one, 4-butyl-3-methoxy- (CAS 53690-84-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3-methoxycyclohex-2-en-1-one
Also Known As: 4-Butyl-3-methoxy-2-cyclohexen-1-one, 4-butyl-3-methoxycyclohex-2-enone, 2-Cyclohexen-1-one, 4-butyl-3-methoxy-, 4-butyl-3-methoxycyclohex-2-en-1-one, 4-Butyl-3-methoxy-2-cyclohexen-1-one #
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 53690-84-9 |
|---|---|
| SMILES | CCCCC1CCC(=O)C=C1OC |
| InChIKey | WPEGZLVVMPUPHR-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 4-butyl-3-methoxy- (CAS 53690-84-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 4-butyl-3-methoxycyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 4-butyl-3-methoxy-
Property Insights of 2-Cyclohexen-1-one, 4-butyl-3-methoxy-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 4-butyl-3-methoxy-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclohexen-1-one, 4-butyl-3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 4-butyl-3-methoxy- 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 2-Cyclohexen-1-one, 4-butyl-3-methoxy-?
The CAS number of 2-Cyclohexen-1-one, 4-butyl-3-methoxy- is 53690-84-9.
What is the molecular formula of 2-Cyclohexen-1-one, 4-butyl-3-methoxy-?
The molecular formula of 2-Cyclohexen-1-one, 4-butyl-3-methoxy- is C11H18O2.
What is the molecular weight of 2-Cyclohexen-1-one, 4-butyl-3-methoxy-?
The molecular weight of 2-Cyclohexen-1-one, 4-butyl-3-methoxy- is 182.13 g/mol.
Where can I buy 2-Cyclohexen-1-one, 4-butyl-3-methoxy-?
You can request a quote for 2-Cyclohexen-1-one, 4-butyl-3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 4-butyl-3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 4-butyl-3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.