CTK4E6588
TL;DR: CTK4E6588 (CAS 21368-26-3) is a chemical compound with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-1,3-thiazole-5-carboxylate
Also Known As: 2-(5-Amino-2-chloro-4-fluorophenoxy)pyrimidine, Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate, ethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-1,3-thiazole-5-carboxylate, ethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate, 2-(1,3-Diethyl-1,3,4,6-tetrahydro-4,6-dioxo-2-thioxopyrimidin-5(2H)-ylidene)-2,3-dihydro-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
| Molecular Formula | C16H21N3O4S2 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.09735 |
| Heavy Atoms | 25 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 21368-26-3 |
|---|---|
| SMILES | CCN1C(=O)C(=C2N(C(=C(S2)C(=O)OCC)C)C)C(=O)N(C1=S)CC |
| InChIKey | YTTIJYIEPFKITG-UHFFFAOYSA-N |
Product Overview
CTK4E6588 (CAS 21368-26-3), with molecular formula C16H21N3O4S2 and molecular weight 383.10 g/mol. IUPAC: ethyl 2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-3,4-dimethyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of CTK4E6588
Property Insights of CTK4E6588
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4E6588. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4E6588. Following Lipinski's Rule of Five, CTK4E6588 has 0 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 CTK4E6588?
The CAS number of CTK4E6588 is 21368-26-3.
What is the molecular formula of CTK4E6588?
The molecular formula of CTK4E6588 is C16H21N3O4S2.
What is the molecular weight of CTK4E6588?
The molecular weight of CTK4E6588 is 383.10 g/mol.
Where can I buy CTK4E6588?
You can request a quote for CTK4E6588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4E6588?
Yes, KEHONG BIO provides custom synthesis services for CTK4E6588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.