![Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate structure](/static/products/672/672901-97-2.png)
Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate
TL;DR: Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate (CAS 672901-97-2) is a chemical compound with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate
Also Known As: methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate, 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid methyl ester, 4-[4-amino-6-(3,4-dimethylanilino)-s-triazin-2-yl]-3-keto-butyric acid methyl ester, methyl 4-(4-amino-6-((3,4-dimethylphenyl)amino)-1,3,5-triazin-2-yl)-3-oxobutanoate, methyl 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoate
| Molecular Formula | C16H19N5O3 |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1488 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 672901-97-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N)CC(=O)CC(=O)OC)C |
| InChIKey | ODELWMUHUHJXGM-UHFFFAOYSA-N |
Product Overview
Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate (CAS 672901-97-2), with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol. IUPAC: methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate.
Chemical Property Profile of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate
Property Insights of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate 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 Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate?
The CAS number of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate is 672901-97-2.
What is the molecular formula of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate?
The molecular formula of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate is C16H19N5O3.
What is the molecular weight of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate?
The molecular weight of Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate is 329.15 g/mol.
Where can I buy Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate?
You can request a quote for Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.