Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester
TL;DR: Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester (CAS 55212-17-4) is a chemical compound with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate
Also Known As: Methyl 2-((3-(diethylamino)-2-hydroxypropyl)amino)benzoate, Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester, methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate, Methyl 2-{[3-(diethylamino)-2-hydroxypropyl]amino}benzoate, BRN 2136946
| Molecular Formula | C15H24N2O3 |
|---|---|
| Molecular Weight | 280.18 g/mol |
| LogP | 1.5878 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.17868 |
| Heavy Atoms | 20 |
| Complexity | 419.3346 |
Chemical Identifiers
| CAS Number | 55212-17-4 |
|---|---|
| SMILES | CCN(CC)CC(CNC1=CC=CC=C1C(=O)OC)O |
Product Overview
Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester (CAS 55212-17-4), with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol. IUPAC: methyl 2-[[3-(diethylamino)-2-hydroxypropyl]amino]benzoate.
Chemical Property Profile of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester
Property Insights of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester
The XLogP value of 1.5878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, 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, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester?
The CAS number of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester is 55212-17-4.
What is the molecular formula of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester?
The molecular formula of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester is C15H24N2O3.
What is the molecular weight of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester?
The molecular weight of Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester is 280.18 g/mol.
Where can I buy Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester?
You can request a quote for Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, 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, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(diethylamino)-2-hydroxypropyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.