8R-0039
TL;DR: 8R-0039 (CAS 453557-84-1) is a chemical compound with molecular formula C10H16N6OS and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(dimethylaminomethylidene)-3-ethyl-2-(1,2,4-triazol-4-ylamino)-1,3-thiazolidin-4-one
Also Known As: 8R-0039, dimethylaminomethyleneethyltriazolylaminothiazolanone, 2-((4H-1,2,4-Triazol-4-yl)amino)-5-((dimethylamino)methylene)-3-ethylthiazolidin-4-one, 5-[(dimethylamino)methylene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylamino)-1,3-thiazolan-4-one, (5Z)-5-(dimethylaminomethylidene)-3-ethyl-2-(1,2,4-triazol-4-ylamino)-1,3-thiazolidin-4-one
| Molecular Formula | C10H16N6OS |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 0.1035 |
| Topological Polar Surface Area | 66.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.11063 |
| Heavy Atoms | 18 |
| Complexity | 443.2302 |
Chemical Identifiers
| CAS Number | 453557-84-1 |
|---|---|
| SMILES | CCN1C(S/C(=C\N(C)C)/C1=O)NN2C=NN=C2 |
Product Overview
8R-0039 (CAS 453557-84-1), with molecular formula C10H16N6OS and molecular weight 268.11 g/mol. IUPAC: (5Z)-5-(dimethylaminomethylidene)-3-ethyl-2-(1,2,4-triazol-4-ylamino)-1,3-thiazolidin-4-one.
Chemical Property Profile of 8R-0039
Property Insights of 8R-0039
The XLogP value of 0.1035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8R-0039. The TPSA of 66.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 8R-0039. Following Lipinski's Rule of Five, 8R-0039 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 8R-0039?
The CAS number of 8R-0039 is 453557-84-1.
What is the molecular formula of 8R-0039?
The molecular formula of 8R-0039 is C10H16N6OS.
What is the molecular weight of 8R-0039?
The molecular weight of 8R-0039 is 268.11 g/mol.
Where can I buy 8R-0039?
You can request a quote for 8R-0039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0039?
Yes, KEHONG BIO provides custom synthesis services for 8R-0039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.