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Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
TL;DR: Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate (CAS 368434-18-8) is a chemical compound with molecular formula C17H25N3O4 and molecular weight 335.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]amino]benzoate
Also Known As: Butyl 4-[(2-dimethylaminoethylcarbamoylformyl)amino]benzoate, butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate, butyl 4-(2-((2-(dimethylamino)ethyl)amino)-2-oxoacetamido)benzoate, butyl 4-[[2-(2-dimethylaminoethylamino)-2-oxoacetyl]amino]benzoate, Butyl 4-[2-{[2-(dimethylamino)ethyl]amino}(oxo)acetamido]benzoate
| Molecular Formula | C17H25N3O4 |
|---|---|
| Molecular Weight | 335.18 g/mol |
| LogP | 1.2598 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.1845 |
| Heavy Atoms | 24 |
| Complexity | 555.459 |
Chemical Identifiers
| CAS Number | 368434-18-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCN(C)C |
Product Overview
Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate (CAS 368434-18-8), with molecular formula C17H25N3O4 and molecular weight 335.18 g/mol. IUPAC: butyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
Property Insights of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
The XLogP value of 1.2598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate 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 Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate?
The CAS number of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate is 368434-18-8.
What is the molecular formula of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate?
The molecular formula of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate is C17H25N3O4.
What is the molecular weight of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate?
The molecular weight of Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate is 335.18 g/mol.
Where can I buy Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate?
You can request a quote for Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.