Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester
TL;DR: Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester (CAS 6245-02-9) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate
Also Known As: Nirvanine, 5-(2-(Diethylamino)acetamido)salicylic acid methyl ester, 2-14-00-00354 (Beilstein Handbook Reference), Salicylic acid, 5-(2-(diethylamino)acetamido)-, methyl ester, Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.4591 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 484.0623 |
Chemical Identifiers
| CAS Number | 6245-02-9 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=CC(=C(C=C1)O)C(=O)OC |
Product Overview
Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester (CAS 6245-02-9), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: methyl 5-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester
Property Insights of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester
The XLogP value of 1.4591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester has 2 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 Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester?
The CAS number of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester is 6245-02-9.
What is the molecular formula of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester?
The molecular formula of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester is C14H20N2O4.
What is the molecular weight of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester?
The molecular weight of Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester is 280.14 g/mol.
Where can I buy Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester?
You can request a quote for Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-(((diethylamino)acetyl)amino)-2-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.