DS 4574
TL;DR: DS 4574 (CAS 138799-00-5) is a chemical compound with molecular formula C13H16N6OS and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(2-cyclohexylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
Also Known As: 6-(2-Cyclohexylethyl)-(1,3,4)thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 5-(2-Cyclohexyl-ethyl)-[1,3,4]thiadiazol-2-ylamine, 6-(2-cyclohexylethyl)[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(2h)-one, 6-(2-Cyclohexylethyl)-[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one, (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-cyclohexylethyl)-
| Molecular Formula | C13H16N6OS |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.11063 |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 138799-00-5 |
|---|---|
| SMILES | C1CCC(CC1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2 |
| InChIKey | ASIFEXZWAKYMRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DS 4574 (CAS 138799-00-5), with molecular formula C13H16N6OS and molecular weight 304.11 g/mol. IUPAC: 11-(2-cyclohexylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one.
Chemical Property Profile of DS 4574
Property Insights of DS 4574
The XLogP value of 3.0 indicates that DS 4574 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DS 4574. Following Lipinski's Rule of Five, DS 4574 has 1 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 DS 4574?
The CAS number of DS 4574 is 138799-00-5.
What is the molecular formula of DS 4574?
The molecular formula of DS 4574 is C13H16N6OS.
What is the molecular weight of DS 4574?
The molecular weight of DS 4574 is 304.11 g/mol.
Where can I buy DS 4574?
You can request a quote for DS 4574 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DS 4574?
Yes, KEHONG BIO provides custom synthesis services for DS 4574 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.