![5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/5538/5538-22-7.webp)
5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5538-22-7) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0023132.P001, 5-[(2-butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(2-butoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 1.7798 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 588.6912 |
Chemical Identifiers
| CAS Number | 5538-22-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C=C2C(=O)NC(=S)NC2=O |
Product Overview
5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5538-22-7), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: 5-[(2-butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.7798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(2-Butoxyphenyl)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 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 5538-22-7.
What is the molecular formula of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H16N2O3S.
What is the molecular weight of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 304.09 g/mol.
Where can I buy 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(2-Butoxyphenyl)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 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Butoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.