![5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/5630/5630-14-8.webp)
5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5630-14-8) is a chemical compound with molecular formula C11H7Cl2N3O2S and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: BIM-0026485.P001, UPCMLD0ENAT0510-6486:001, F3220-0536, 5-{[(3,4-DICHLOROPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-[(3,4-dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H7Cl2N3O2S |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 3.19549 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.9636 |
| Heavy Atoms | 19 |
| Complexity | 767.2661 |
Chemical Identifiers
| CAS Number | 5630-14-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=CC2=C(NC(=S)NC2=O)O)Cl)Cl |
Product Overview
5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 5630-14-8), with molecular formula C11H7Cl2N3O2S and molecular weight 314.96 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.19549 indicates that 5-[(3,4-Dichloroanilino)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 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 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-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 5630-14-8.
What is the molecular formula of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C11H7Cl2N3O2S.
What is the molecular weight of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 314.96 g/mol.
Where can I buy 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(3,4-Dichloroanilino)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-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,4-Dichloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.