Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate
TL;DR: Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate (CAS 4788-21-0) is a chemical compound with molecular formula C16H25NO5 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[bis(2-hydroxyethyl)amino]methyl]-2-propoxybenzoate
Also Known As: methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate, methyl 5-[[bis(2-hydroxyethyl)amino]methyl]-2-propoxybenzoate, methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-propoxybenzoate
| Molecular Formula | C16H25NO5 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.17328 |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 4788-21-0 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)CN(CCO)CCO)C(=O)OC |
| InChIKey | JBLACDPVLDUQIL-UHFFFAOYSA-N |
Product Overview
Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate (CAS 4788-21-0), with molecular formula C16H25NO5 and molecular weight 311.17 g/mol. IUPAC: methyl 5-[[bis(2-hydroxyethyl)amino]methyl]-2-propoxybenzoate.
Chemical Property Profile of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate
Property Insights of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate. Following Lipinski's Rule of Five, Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate has 2 hydrogen bond donor(s) and 6 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 Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate?
The CAS number of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate is 4788-21-0.
What is the molecular formula of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate?
The molecular formula of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate is C16H25NO5.
What is the molecular weight of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate?
The molecular weight of Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate is 311.17 g/mol.
Where can I buy Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate?
You can request a quote for Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-((bis(2-hydroxyethyl)amino)methyl)-2-propoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.