1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one
TL;DR: 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one (CAS 499210-14-9) is a chemical compound with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-(4-methylphenyl)sulfanylpropan-2-one
Also Known As: 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one, 1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-(4-methylphenyl)sulfanylpropan-2-one, 1-{(4Z)-6-amino-4-[(5-chloro-2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}-3-[(4-methylphenyl)sulfanyl]propan-2-one, 1-{4-amino-6-[(5-chloro-2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-methylphenyl)sulfanyl]propan-2-one, 1-{4-amino-6-[(5-chloro-2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}-3-[(4-methylphenyl)thio]acetone
| Molecular Formula | C20H20ClN5O2S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 4.07172 |
| Topological Polar Surface Area | 103.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.10263 |
| Heavy Atoms | 29 |
| Complexity | 1014.2534 |
Chemical Identifiers
| CAS Number | 499210-14-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)CC2=NC(=NC(=N2)NC3=C(C=CC(=C3)Cl)OC)N |
Product Overview
1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one (CAS 499210-14-9), with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol. IUPAC: 1-[4-amino-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]-3-(4-methylphenyl)sulfanylpropan-2-one.
Chemical Property Profile of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one
Property Insights of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one
The XLogP value of 4.07172 indicates that 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one. Following Lipinski's Rule of Five, 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one has 2 hydrogen bond donor(s) and 8 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-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one?
The CAS number of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one is 499210-14-9.
What is the molecular formula of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one?
The molecular formula of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one is C20H20ClN5O2S.
What is the molecular weight of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one?
The molecular weight of 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one is 429.10 g/mol.
Where can I buy 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one?
You can request a quote for 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)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-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-6-((5-chloro-2-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-3-(p-tolylthio)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.