4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid
TL;DR: 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid (CAS 111854-71-8) is a chemical compound with molecular formula C17H15N7O2 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid
Also Known As: 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid, 4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid
| Molecular Formula | C17H15N7O2 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.12872 |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 111854-71-8 |
|---|---|
| SMILES | C#CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O |
| InChIKey | KIDSKNXGLXJKPI-UHFFFAOYSA-N |
Product Overview
4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid (CAS 111854-71-8), with molecular formula C17H15N7O2 and molecular weight 349.13 g/mol. IUPAC: 4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoic acid.
Chemical Property Profile of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid
Property Insights of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid
The XLogP value of -1.0 indicates that 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid has 3 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 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid?
The CAS number of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid is 111854-71-8.
What is the molecular formula of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid?
The molecular formula of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid is C17H15N7O2.
What is the molecular weight of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid?
The molecular weight of 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid is 349.13 g/mol.
Where can I buy 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid?
You can request a quote for 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2,4-Diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.