5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 899388-02-4) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione, 5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1,3-bis(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[2-(cyclohexen-1-yl)ethylamino]methylidene]-1,3-bis(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 5.98953 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1348.2029 |
Chemical Identifiers
| CAS Number | 899388-02-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3C)C=NCCC4=CCCCC4)O |
Product Overview
5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione (CAS 899388-02-4), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 5.98953 indicates that 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)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-(((2-(cyclohex-1-en-1-yl)ethyl)amino)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-(((2-(cyclohex-1-en-1-yl)ethyl)amino)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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 899388-02-4.
What is the molecular formula of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is C27H29N3O2S.
What is the molecular weight of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione is 459.20 g/mol.
Where can I buy 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)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-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-2-thioxo-1,3-di-o-tolyldihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)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.