![1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/896/896855-79-1.png)
1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 896855-79-1) is a chemical compound with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-bis(2-methylphenyl)-5-[(4-propan-2-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
Also Known As: 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1,3-bis(2-methylphenyl)-5-[(4-propan-2-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(((4-isopropylphenyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C28H27N3O2S |
|---|---|
| Molecular Weight | 469.18 g/mol |
| LogP | 6.55413 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.1824 |
| Heavy Atoms | 34 |
| Complexity | 1495.8165 |
Chemical Identifiers
| CAS Number | 896855-79-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3C)C=NC4=CC=C(C=C4)C(C)C)O |
Product Overview
1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 896855-79-1), with molecular formula C28H27N3O2S and molecular weight 469.18 g/mol. IUPAC: 6-hydroxy-1,3-bis(2-methylphenyl)-5-[(4-propan-2-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 6.55413 indicates that 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-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, 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 896855-79-1.
What is the molecular formula of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C28H27N3O2S.
What is the molecular weight of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 469.18 g/mol.
Where can I buy 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-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 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.