![4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester structure](/static/products/6906/690685-25-7.webp)
4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
TL;DR: 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester (CAS 690685-25-7) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(diethylcarbamoylamino)benzoate
Also Known As: ethyl 4-(diethylcarbamoylamino)benzoate, ethyl 4-(3,3-diethylureido)benzoate, ethyl 4-[(diethylcarbamoyl)amino]benzoate, ethyl 4-[(diethylamino)carbonylamino]benzoate, 4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.737 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 424.82214 |
Chemical Identifiers
| CAS Number | 690685-25-7 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester (CAS 690685-25-7), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: ethyl 4-(diethylcarbamoylamino)benzoate.
Chemical Property Profile of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
Property Insights of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
The XLogP value of 2.737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester. With a topological polar surface area (TPSA) of 58.64 Ų, 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester has 1 hydrogen bond donor(s) and 3 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-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester?
The CAS number of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester is 690685-25-7.
What is the molecular formula of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester?
The molecular formula of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester is C14H20N2O3.
What is the molecular weight of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester?
The molecular weight of 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester is 264.15 g/mol.
Where can I buy 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester?
You can request a quote for 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.