CTK3E9565
TL;DR: CTK3E9565 (CAS 83975-67-1) is a chemical compound with molecular formula C24H23F4NO5S2 and molecular weight 545.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;4-[2-fluoro-8-(trifluoromethylsulfanyl)-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine
Also Known As: Piperidine, 4-(7-fluoro-2-((trifluoromethyl)thio)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate
| Molecular Formula | C24H23F4NO5S2 |
|---|---|
| Molecular Weight | 545.10 g/mol |
| LogP | 6.0759 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.0954 |
| Heavy Atoms | 36 |
| Complexity | 1117.9753 |
Chemical Identifiers
| CAS Number | 83975-67-1 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)SC(F)(F)F)SC4=C(O2)C=CC(=C4)F.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9565 (CAS 83975-67-1), with molecular formula C24H23F4NO5S2 and molecular weight 545.10 g/mol. IUPAC: but-2-enedioic acid;4-[2-fluoro-8-(trifluoromethylsulfanyl)-6H-benzo[b][4,1]benzoxathiepin-6-yl]-1-methylpiperidine.
Chemical Property Profile of CTK3E9565
Property Insights of CTK3E9565
The XLogP value of 6.0759 indicates that CTK3E9565 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E9565. Following Lipinski's Rule of Five, CTK3E9565 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3E9565?
The CAS number of CTK3E9565 is 83975-67-1.
What is the molecular formula of CTK3E9565?
The molecular formula of CTK3E9565 is C24H23F4NO5S2.
What is the molecular weight of CTK3E9565?
The molecular weight of CTK3E9565 is 545.10 g/mol.
Where can I buy CTK3E9565?
You can request a quote for CTK3E9565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9565?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.