CTK4F4536
TL;DR: CTK4F4536 (CAS 24868-63-1) is a chemical compound with molecular formula C27H27F3N2O7S and molecular weight 580.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Also Known As: 1-Thia-4,8-diazaspiro(4.5)decan-3-one, 8-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-4-(3-(trifluoromethyl)phenyl)-, (Z)-2-butenedioate (1:1), 8-(7,10-DIOXABICYCLO[4.4.0]DECA-1,3,5-TRIEN-9-YLMETHYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1-THIA-4,8-DIAZASPIRO[4.5]DECAN-3-ONE MALEATE
| Molecular Formula | C27H27F3N2O7S |
|---|---|
| Molecular Weight | 580.15 g/mol |
| LogP | 4.1291 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.1491 |
| Heavy Atoms | 40 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 24868-63-1 |
|---|---|
| SMILES | C1CN(CCC12N(C(=O)CS2)C3=CC=CC(=C3)C(F)(F)F)CC4COC5=CC=CC=C5O4.C(=CC(=O)O)C(=O)O |
| InChIKey | DMHZHTZFDQACQE-UHFFFAOYSA-N |
Product Overview
CTK4F4536 (CAS 24868-63-1), with molecular formula C27H27F3N2O7S and molecular weight 580.15 g/mol. IUPAC: but-2-enedioic acid;8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
Chemical Property Profile of CTK4F4536
Property Insights of CTK4F4536
The XLogP value of 4.1291 indicates that CTK4F4536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting CTK4F4536 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4F4536 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4F4536?
The CAS number of CTK4F4536 is 24868-63-1.
What is the molecular formula of CTK4F4536?
The molecular formula of CTK4F4536 is C27H27F3N2O7S.
What is the molecular weight of CTK4F4536?
The molecular weight of CTK4F4536 is 580.15 g/mol.
Where can I buy CTK4F4536?
You can request a quote for CTK4F4536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4F4536?
Yes, KEHONG BIO provides custom synthesis services for CTK4F4536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.