3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one
TL;DR: 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one (CAS 127531-90-2) is a chemical compound with molecular formula C16H17Cl2N7OS and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one
Also Known As: 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one, 3-(3,4-dichlorophenyl)-1-[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one, 3-(3,4-dichlorophenyl)-1-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one
| Molecular Formula | C16H17Cl2N7OS |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 3.14277 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.05923 |
| Heavy Atoms | 27 |
| Complexity | 923.63696 |
Chemical Identifiers
| CAS Number | 127531-90-2 |
|---|---|
| SMILES | CC1C(=O)N(C(=N)N1C2=NC(=NC(=N2)SC)N(C)C)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one (CAS 127531-90-2), with molecular formula C16H17Cl2N7OS and molecular weight 425.06 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-imino-5-methylimidazolidin-4-one.
Chemical Property Profile of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one
Property Insights of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one
The XLogP value of 3.14277 indicates that 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one. Following Lipinski's Rule of Five, 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one has 1 hydrogen bond donor(s) and 7 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 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one?
The CAS number of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one is 127531-90-2.
What is the molecular formula of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one?
The molecular formula of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one is C16H17Cl2N7OS.
What is the molecular weight of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one?
The molecular weight of 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one is 425.06 g/mol.
Where can I buy 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one?
You can request a quote for 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dichlorophenyl)-1-(4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl)-2-imino-5-methylimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.