![5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/370/370077-72-8.png)
5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 370077-72-8) is a chemical compound with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(((3s,5s,7s)-adamantan-1-ylamino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H23N3O2S |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 2.54659 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1511 |
| Heavy Atoms | 23 |
| Complexity | 769.9979 |
Chemical Identifiers
| CAS Number | 370077-72-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C=NC23CC4CC(C2)CC(C4)C3)O |
Product Overview
5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 370077-72-8), with molecular formula C17H23N3O2S and molecular weight 333.15 g/mol. IUPAC: 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 2.54659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione. With a topological polar surface area (TPSA) of 59.52 Ų, 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 1 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-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 370077-72-8.
What is the molecular formula of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C17H23N3O2S.
What is the molecular weight of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 333.15 g/mol.
Where can I buy 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-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-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1-adamantylamino)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.