CTK8I6668
TL;DR: CTK8I6668 (CAS 41388-04-9) is a chemical compound with molecular formula C27H27Cl3N2O4 and molecular weight 548.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-[3-heptyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-ylidene]prop-1-enyl]phenoxy]acetic acid
Also Known As: [2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propenyl]phenoxy]acetic acid|2-[2-[3-[3-Heptyl-1,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-ylidene]-1-propen-1-yl]phenoxy]acetic acid
| Molecular Formula | C27H27Cl3N2O4 |
|---|---|
| Molecular Weight | 548.10 g/mol |
| LogP | 7.8131 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 548.10364 |
| Heavy Atoms | 36 |
| Complexity | 1184.2501 |
Chemical Identifiers
| CAS Number | 41388-04-9 |
|---|---|
| SMILES | CCCCCCCC1=NN(C(=O)C1=CC=CC2=CC=CC=C2OCC(=O)O)C3=C(C=C(C=C3Cl)Cl)Cl |
Product Overview
CTK8I6668 (CAS 41388-04-9), with molecular formula C27H27Cl3N2O4 and molecular weight 548.10 g/mol. IUPAC: 2-[2-[3-[3-heptyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-ylidene]prop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of CTK8I6668
Property Insights of CTK8I6668
The XLogP value of 7.8131 indicates that CTK8I6668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8I6668. Following Lipinski's Rule of Five, CTK8I6668 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8I6668?
The CAS number of CTK8I6668 is 41388-04-9.
What is the molecular formula of CTK8I6668?
The molecular formula of CTK8I6668 is C27H27Cl3N2O4.
What is the molecular weight of CTK8I6668?
The molecular weight of CTK8I6668 is 548.10 g/mol.
Where can I buy CTK8I6668?
You can request a quote for CTK8I6668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8I6668?
Yes, KEHONG BIO provides custom synthesis services for CTK8I6668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.