![(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione structure](/static/products/714/714935-31-6.png)
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione (CAS 714935-31-6) is a chemical compound with molecular formula C18H25N3O3S and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione, (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-1-(2-(cyclohex-1-en-1-yl)ethyl)-5-((((tetrahydrofuran-2-yl)methyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-[2-(cyclohexen-1-yl)ethyl]-5-[(oxolan-2-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H25N3O3S |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.09989 |
| Topological Polar Surface Area | 79.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.16165 |
| Heavy Atoms | 25 |
| Complexity | 772.75146 |
Chemical Identifiers
| CAS Number | 714935-31-6 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=S)C=NCC3CCCO3)O |
Product Overview
(5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione (CAS 714935-31-6), with molecular formula C18H25N3O3S and molecular weight 363.16 g/mol. IUPAC: 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione
The XLogP value of 3.09989 indicates that (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 5 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 (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is 714935-31-6.
What is the molecular formula of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is C18H25N3O3S.
What is the molecular weight of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione is 363.16 g/mol.
Where can I buy (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-sulfanyl-5-{[(tetrahydrofuran-2-ylmethyl)amino]methylidene}pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.