Isoxylitone A
TL;DR: Isoxylitone A (CAS 16695-72-0) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-2-one
Also Known As: Isoxylitone A, 1- acetone, EINECS 221-724-5, 1-(3,5,5-Trimethyl-2-cyclohexen-1-ylidene)acetone, 1-(trans-2-Oxopropylidene)-3,5,5-trimethyl-2-cyclohexene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2681 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 279.4996 |
Chemical Identifiers
| CAS Number | 16695-72-0 |
|---|---|
| SMILES | CC1=C/C(=C/C(=O)C)/CC(C1)(C)C |
Product Overview
Isoxylitone A (CAS 16695-72-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (1E)-1-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-2-one.
Chemical Property Profile of Isoxylitone A
Property Insights of Isoxylitone A
The XLogP value of 3.2681 indicates that Isoxylitone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Isoxylitone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxylitone A 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 Isoxylitone A?
The CAS number of Isoxylitone A is 16695-72-0.
What is the molecular formula of Isoxylitone A?
The molecular formula of Isoxylitone A is C12H18O.
What is the molecular weight of Isoxylitone A?
The molecular weight of Isoxylitone A is 178.14 g/mol.
Where can I buy Isoxylitone A?
You can request a quote for Isoxylitone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxylitone A?
Yes, KEHONG BIO provides custom synthesis services for Isoxylitone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.