Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
TL;DR: Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate (CAS 4514-44-7) is a chemical compound with molecular formula C14H19N5O2 and molecular weight 289.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
Also Known As: ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate, Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoate, Ethyl4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoate, 4.6-Diamino-2.2-dimethyl-1-<4-aethoxycarbonyl-phenyl>-1.2-dihydro-s-triazin
| Molecular Formula | C14H19N5O2 |
|---|---|
| Molecular Weight | 289.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.15387 |
| Heavy Atoms | 21 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 4514-44-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N |
| InChIKey | IGQDOFBDHKOXGN-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate (CAS 4514-44-7), with molecular formula C14H19N5O2 and molecular weight 289.15 g/mol. IUPAC: ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate.
Chemical Property Profile of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
Property Insights of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate has 2 hydrogen bond donor(s) and 3 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 Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate?
The CAS number of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate is 4514-44-7.
What is the molecular formula of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate?
The molecular formula of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate is C14H19N5O2.
What is the molecular weight of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate?
The molecular weight of Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate is 289.15 g/mol.
Where can I buy Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate?
You can request a quote for Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.