CTK3E8835
TL;DR: CTK3E8835 (CAS 83975-62-6) is a chemical compound with molecular formula C24H26FNO6S and molecular weight 475.15 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-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
Also Known As: Piperidine, 4-(7-fluoro-2-methoxy-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-1-methyl-, (Z)-2-butenedioate (1:1), 2-Fluoro-8-methoxy-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin maleate
| Molecular Formula | C24H26FNO6S |
|---|---|
| Molecular Weight | 475.15 g/mol |
| LogP | 4.4726 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.14648 |
| Heavy Atoms | 33 |
| Complexity | 1019.6097 |
Chemical Identifiers
| CAS Number | 83975-62-6 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)OC)SC4=C(O2)C=CC(=C4)F.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E8835 (CAS 83975-62-6), with molecular formula C24H26FNO6S and molecular weight 475.15 g/mol. IUPAC: but-2-enedioic acid;4-(2-fluoro-8-methoxy-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine.
Chemical Property Profile of CTK3E8835
Property Insights of CTK3E8835
The XLogP value of 4.4726 indicates that CTK3E8835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3E8835. Following Lipinski's Rule of Five, CTK3E8835 has 2 hydrogen bond donor(s) and 6 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 CTK3E8835?
The CAS number of CTK3E8835 is 83975-62-6.
What is the molecular formula of CTK3E8835?
The molecular formula of CTK3E8835 is C24H26FNO6S.
What is the molecular weight of CTK3E8835?
The molecular weight of CTK3E8835 is 475.15 g/mol.
Where can I buy CTK3E8835?
You can request a quote for CTK3E8835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E8835?
Yes, KEHONG BIO provides custom synthesis services for CTK3E8835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.