![1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577989-94-7.png)
1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577989-94-7) is a chemical compound with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-cyclopropyl-5-{[(4-fluorophenyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-cyclopropyl-5-(((4-fluorophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C14H12FN3O2S |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 2.83609 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.06342 |
| Heavy Atoms | 21 |
| Complexity | 819.59326 |
Chemical Identifiers
| CAS Number | 577989-94-7 |
|---|---|
| SMILES | C1CC1N2C(=C(C(=O)NC2=S)C=NC3=CC=C(C=C3)F)O |
Product Overview
1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577989-94-7), with molecular formula C14H12FN3O2S and molecular weight 305.06 g/mol. IUPAC: 1-cyclopropyl-5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.83609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 hydrogen bond donor(s) and 4 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 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 577989-94-7.
What is the molecular formula of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H12FN3O2S.
What is the molecular weight of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 305.06 g/mol.
Where can I buy 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopropyl-5-[(4-fluoroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.