![Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate structure](/static/products/333/333760-65-9.png)
Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate
TL;DR: Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate (CAS 333760-65-9) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]amino]benzoate
Also Known As: BAS 00919990, butyl 4-[N-(pyridin-3-ylmethyl)ethanediamido]benzoate, butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate, butyl 4-({oxo[(pyridin-3-ylmethyl)amino]acetyl}amino)benzoate, butyl 4-{[N-(3-pyridylmethyl)carbamoyl]carbonylamino}benzoate
| Molecular Formula | C19H21N3O4 |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 2.2934 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1532 |
| Heavy Atoms | 26 |
| Complexity | 745.13934 |
Chemical Identifiers
| CAS Number | 333760-65-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CN=CC=C2 |
Product Overview
Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate (CAS 333760-65-9), with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol. IUPAC: butyl 4-[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]amino]benzoate.
Chemical Property Profile of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate
Property Insights of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate
The XLogP value of 2.2934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({oxo[(3-pyridinylmethyl)amino]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-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate?
The CAS number of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate is 333760-65-9.
What is the molecular formula of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate?
The molecular formula of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate is C19H21N3O4.
What is the molecular weight of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate?
The molecular weight of Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate is 355.15 g/mol.
Where can I buy Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate?
You can request a quote for Butyl 4-({oxo[(3-pyridinylmethyl)amino]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-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({oxo[(3-pyridinylmethyl)amino]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.