2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid
TL;DR: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid (CAS 106542-99-8) is a chemical compound with molecular formula C19H23N8O6P and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-phosphonobutanoic acid
Also Known As: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid, Pyridine,4-cyclohexyl-1,2,3,6-tetrahydro-1-methyl, 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-phosphonobutanoic acid, 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]-4-phosphonobutanoic acid, Butanoic acid,2-[[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]amino]-4-phosphono-
| Molecular Formula | C19H23N8O6P |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.14783 |
| Heavy Atoms | 34 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 106542-99-8 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCP(=O)(O)O)C(=O)O |
| InChIKey | WSHCJNSZXLKWSM-UHFFFAOYSA-N |
Product Overview
2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid (CAS 106542-99-8), with molecular formula C19H23N8O6P and molecular weight 490.15 g/mol. IUPAC: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-phosphonobutanoic acid.
Chemical Property Profile of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid
Property Insights of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid
The XLogP value of -3.2 indicates that 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.0 Ų indicates high polarity, suggesting 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid?
The CAS number of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid is 106542-99-8.
What is the molecular formula of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid?
The molecular formula of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid is C19H23N8O6P.
What is the molecular weight of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid?
The molecular weight of 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid is 490.15 g/mol.
Where can I buy 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid?
You can request a quote for 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.