5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 896820-59-0) is a chemical compound with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(tert-butyliminomethyl)-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione, 1,3-bis(2-methylphenyl)-2-sulfanylidene-5-[(tert-butylamino)methylidene]-1,3-diazinane-4,6-dione, 5-[(tert-butylamino)methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(tert-butylamino)methylidene]-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H25N3O2S |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 4.89753 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.16675 |
| Heavy Atoms | 29 |
| Complexity | 1214.0133 |
Chemical Identifiers
| CAS Number | 896820-59-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3C)C=NC(C)(C)C)O |
Product Overview
5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 896820-59-0), with molecular formula C23H25N3O2S and molecular weight 407.17 g/mol. IUPAC: 5-(tert-butyliminomethyl)-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.89753 indicates that 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.52 Ų, 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-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-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 896820-59-0.
What is the molecular formula of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is C23H25N3O2S.
What is the molecular weight of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 407.17 g/mol.
Where can I buy 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((tert-butylamino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.