Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate
TL;DR: Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate (CAS 15187-16-3) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
Also Known As: 2'-O-(1-propyn-3-yl)adenosine, Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate, NCI60_031736, methyl 4-[(2,5-dihydroxybenzyl)amino]-2-hydroxybenzoate, methyl 4-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
Technical Specifications
| Molecular Formula | C15H15NO5 |
| Molecular Weight | 289.09503 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.09503 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O |
| InChIKey | UKKCCABWWBKWOE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate
Property Insights of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate. Following Lipinski's Rule of Five, Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate?
The CAS number of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate is 15187-16-3.
What is the molecular formula of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate?
The molecular formula of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate is C15H15NO5.
What is the molecular weight of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate?
The molecular weight of Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate is 289.09503 g/mol.
Where can I buy Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate?
You can request a quote for Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.