![5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/714/714254-37-2.png)
5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714254-37-2) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzyliminomethyl)-6-hydroxy-1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[(benzylamino)methylidene]-1-(propan-2-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, (E)-5-((benzylamino)methylene)-1-isopropyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[1-Benzylamino-meth-(E)-ylidene]-1-isopropyl-2-thioxo-dihydro-pyrimidine-4,6-dione
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.81149 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 760.7236 |
Chemical Identifiers
| CAS Number | 714254-37-2 |
|---|---|
| SMILES | CC(C)N1C(=C(C(=O)NC1=S)C=NCC2=CC=CC=C2)O |
Product Overview
5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 714254-37-2), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 5-(benzyliminomethyl)-6-hydroxy-1-propan-2-yl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.81149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(benzylamino)methylidene]-1-propan-2-yl-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 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(benzylamino)methylidene]-1-propan-2-yl-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-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 714254-37-2.
What is the molecular formula of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is C15H17N3O2S.
What is the molecular weight of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione is 303.10 g/mol.
Where can I buy 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(benzylamino)methylidene]-1-propan-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-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(benzylamino)methylidene]-1-propan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.