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4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯
TL;DR: 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 (CAS 140674-76-6) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯
methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Also Known As: Tyrphostin AG 957, Tyrphostin AG957, Lavendustin C Analog, Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester, Methyl 4-((2,5-dihydroxybenzyl)amino)benzoate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 140674-76-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O |
| InChIKey | QSFREBZMBNRGOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 (CAS 140674-76-6), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate.
Chemical Property Profile of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯
Property Insights of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯. Following Lipinski's Rule of Five, 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 has 3 hydrogen bond donor(s) and 5 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-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯?
The CAS number of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 is 140674-76-6.
What is the molecular formula of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯?
The molecular formula of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 is C15H15NO4.
What is the molecular weight of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯?
The molecular weight of 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 is 273.10 g/mol.
Where can I buy 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯?
You can request a quote for 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2,5-二羟基苯基)甲基]氨基]苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.