![5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/575/575467-16-2.png)
5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 575467-16-2) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-aminophenyl)iminomethyl]-1-butan-2-yl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[(2-aminophenyl)amino]methylidene}-1-(butan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (E)-5-(((2-aminophenyl)amino)methylene)-1-(sec-butyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.91529 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 823.02264 |
Chemical Identifiers
| CAS Number | 575467-16-2 |
|---|---|
| SMILES | CCC(C)N1C(=C(C(=O)NC1=S)C=NC2=CC=CC=C2N)O |
Product Overview
5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 575467-16-2), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: 5-[(2-aminophenyl)iminomethyl]-1-butan-2-yl-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.91529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 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 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 575467-16-2.
What is the molecular formula of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H18N4O2S.
What is the molecular weight of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 318.12 g/mol.
Where can I buy 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-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-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-aminoanilino)methylidene]-1-butan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.