CTK8D4596
TL;DR: CTK8D4596 (CAS 72619-67-1) is a chemical compound with molecular formula C23H32O3 and molecular weight 356.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 2-ethylhexanoate
Also Known As: AI3-29544, Hexanoic acid, 2-ethyl-, 5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexen-1-yl ester, 5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohex-1-en-1-yl 2-ethylhexanoate, [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 2-ethylhexanoate, [5,5-Dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl]2-ethylhexanoate
| Molecular Formula | C23H32O3 |
|---|---|
| Molecular Weight | 356.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.23514 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 72619-67-1 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=C(C(=O)CC(C1)(C)C)C2=CC=CC=C2C |
| InChIKey | VJFJACJIOWRZAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK8D4596 (CAS 72619-67-1), with molecular formula C23H32O3 and molecular weight 356.24 g/mol. IUPAC: [5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl] 2-ethylhexanoate.
Chemical Property Profile of CTK8D4596
Property Insights of CTK8D4596
The XLogP value of 6.0 indicates that CTK8D4596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, CTK8D4596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK8D4596 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8D4596?
The CAS number of CTK8D4596 is 72619-67-1.
What is the molecular formula of CTK8D4596?
The molecular formula of CTK8D4596 is C23H32O3.
What is the molecular weight of CTK8D4596?
The molecular weight of CTK8D4596 is 356.24 g/mol.
Where can I buy CTK8D4596?
You can request a quote for CTK8D4596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D4596?
Yes, KEHONG BIO provides custom synthesis services for CTK8D4596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.