CTK5E7912
TL;DR: CTK5E7912 (CAS 80568-50-9) is a chemical compound with molecular formula C26H32N2O6S and molecular weight 500.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[3-(diethylamino)propylamino]-2-methoxy-4-methylthioxanthen-9-one
Also Known As: 1-(3-DIETHYLAMINOPROPYLAMINO)-2-METHOXY-4-METHYL-THIOXANTHEN-9-ONE MALEATE
| Molecular Formula | C26H32N2O6S |
|---|---|
| Molecular Weight | 500.20 g/mol |
| LogP | 4.58732 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.19812 |
| Heavy Atoms | 35 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 80568-50-9 |
|---|---|
| SMILES | CCN(CC)CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC.C(=CC(=O)O)C(=O)O |
| InChIKey | VSXLRLYGUJJRAD-UHFFFAOYSA-N |
Product Overview
CTK5E7912 (CAS 80568-50-9), with molecular formula C26H32N2O6S and molecular weight 500.20 g/mol. IUPAC: but-2-enedioic acid;1-[3-(diethylamino)propylamino]-2-methoxy-4-methylthioxanthen-9-one.
Chemical Property Profile of CTK5E7912
Property Insights of CTK5E7912
The XLogP value of 4.58732 indicates that CTK5E7912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting CTK5E7912 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5E7912 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5E7912?
The CAS number of CTK5E7912 is 80568-50-9.
What is the molecular formula of CTK5E7912?
The molecular formula of CTK5E7912 is C26H32N2O6S.
What is the molecular weight of CTK5E7912?
The molecular weight of CTK5E7912 is 500.20 g/mol.
Where can I buy CTK5E7912?
You can request a quote for CTK5E7912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E7912?
Yes, KEHONG BIO provides custom synthesis services for CTK5E7912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.