![(5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/577/577766-96-2.png)
(5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577766-96-2) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-benzyl-5-(((2,3-dihydro-1H-inden-5-yl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 3.89909 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1130.399 |
Chemical Identifiers
| CAS Number | 577766-96-2 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)N=CC3=C(N(C(=S)NC3=O)CC4=CC=CC=C4)O |
Product Overview
(5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 577766-96-2), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 1-benzyl-5-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.89909 indicates that (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)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 (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 577766-96-2.
What is the molecular formula of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C21H19N3O2S.
What is the molecular weight of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 377.12 g/mol.
Where can I buy (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)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 (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-benzyl-5-[(2,3-dihydro-1H-inden-5-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.