![1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one structure](/static/products/500/500271-97-6.png)
1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one
TL;DR: 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one (CAS 500271-97-6) is a chemical compound with molecular formula C20H20ClN5OS and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)sulfanylpropan-2-one
Also Known As: 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one, 1-(4-amino-6-((3,4-dimethylphenyl)amino)-1,3,5-triazin-2-yl)-3-((4-chlorophenyl)thio)propan-2-one, 1-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)sulfanylpropan-2-one, 1-{(4Z)-6-amino-4-[(3,4-dimethylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one
| Molecular Formula | C20H20ClN5OS |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.37154 |
| Topological Polar Surface Area | 93.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1077 |
| Heavy Atoms | 28 |
| Complexity | 994.3863 |
Chemical Identifiers
| CAS Number | 500271-97-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CSC3=CC=C(C=C3)Cl)C |
Product Overview
1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one (CAS 500271-97-6), with molecular formula C20H20ClN5OS and molecular weight 413.11 g/mol. IUPAC: 1-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-(4-chlorophenyl)sulfanylpropan-2-one.
Chemical Property Profile of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one
Property Insights of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one
The XLogP value of 4.37154 indicates that 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one. Following Lipinski's Rule of Five, 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one has 2 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 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one?
The CAS number of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one is 500271-97-6.
What is the molecular formula of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one?
The molecular formula of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one is C20H20ClN5OS.
What is the molecular weight of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one?
The molecular weight of 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one is 413.11 g/mol.
Where can I buy 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one?
You can request a quote for 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-amino-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-chlorophenyl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.