![Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate structure](/static/products/4311/43111-51-9.webp)
Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
TL;DR: Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate (CAS 43111-51-9) is a chemical compound with molecular formula C17H19N7O2 and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
Also Known As: DAMPA Ethyl Ester, ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate, NCI60_033805, ethyl 4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoate, 4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoic Acid Ethyl Ester
| Molecular Formula | C17H19N7O2 |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.16003 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 43111-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | BDYWKUSEZMEPPR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate (CAS 43111-51-9), with molecular formula C17H19N7O2 and molecular weight 353.16 g/mol. IUPAC: ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate.
Chemical Property Profile of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
Property Insights of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
The XLogP value of -0.4 indicates that Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate has 2 hydrogen bond donor(s) and 9 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-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate?
The CAS number of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate is 43111-51-9.
What is the molecular formula of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate?
The molecular formula of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate is C17H19N7O2.
What is the molecular weight of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate?
The molecular weight of Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate is 353.16 g/mol.
Where can I buy Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate?
You can request a quote for Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]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-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.