CTK2F6960
TL;DR: CTK2F6960 (CAS 65745-48-4) is a chemical compound with molecular formula C21H23ClO7 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7S)-5-chloro-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
Also Known As: (E)-3-[(7S)-5-chloro-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxo-isochromen-3-yl]prop-2-enoic acid
| Molecular Formula | C21H23ClO7 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.11322 |
| Heavy Atoms | 29 |
| Complexity | 877.0 |
Chemical Identifiers
| CAS Number | 65745-48-4 |
|---|---|
| SMILES | CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C(=O)C2=COC(=CC2=C(C1=O)Cl)C=CC(=O)O)C |
| InChIKey | FIRZLNYIXDSGJM-OABGYEMISA-N |
Product Overview
CTK2F6960 (CAS 65745-48-4), with molecular formula C21H23ClO7 and molecular weight 422.11 g/mol. IUPAC: 3-[(7S)-5-chloro-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid.
Chemical Property Profile of CTK2F6960
Property Insights of CTK2F6960
The XLogP value of 3.9 indicates that CTK2F6960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2F6960. Following Lipinski's Rule of Five, CTK2F6960 has 1 hydrogen bond donor(s) and 7 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 CTK2F6960?
The CAS number of CTK2F6960 is 65745-48-4.
What is the molecular formula of CTK2F6960?
The molecular formula of CTK2F6960 is C21H23ClO7.
What is the molecular weight of CTK2F6960?
The molecular weight of CTK2F6960 is 422.11 g/mol.
Where can I buy CTK2F6960?
You can request a quote for CTK2F6960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2F6960?
Yes, KEHONG BIO provides custom synthesis services for CTK2F6960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.