![(Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/714/714933-99-0.png)
(Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 714933-99-0) is a chemical compound with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(5-nitrofuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(5-nitrofuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H19N5O4S |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 4.16747 |
| Topological Polar Surface Area | 125.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.11578 |
| Heavy Atoms | 28 |
| Complexity | 926.1604 |
Chemical Identifiers
| CAS Number | 714933-99-0 |
|---|---|
| SMILES | C1CCC(CC1)CCC2=NN3C(=N)/C(=C/C4=CC=C(O4)[N+](=O)[O-])/C(=O)N=C3S2 |
Product Overview
(Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 714933-99-0), with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol. IUPAC: (6Z)-2-(2-cyclohexylethyl)-5-imino-6-[(5-nitrofuran-2-yl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 4.16747 indicates that (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 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 (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 714933-99-0.
What is the molecular formula of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C18H19N5O4S.
What is the molecular weight of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 401.12 g/mol.
Where can I buy (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-cyclohexylethyl)-5-imino-6-((5-nitrofuran-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.