Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
TL;DR: Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate (CAS 894389-53-8) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
Also Known As: Ethyl 4-(3-(pyridin-2-ylmethyl)ureido)benzoate, Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate, US11452717, Compound TableB-3.13, ethyl 4-{[(2-pyridylmethyl)amino]carbonylamino}benzoate, ethyl 4-{[(pyridin-2-ylmethyl)carbamoyl]amino}benzoate
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.58 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 626.8441 |
Chemical Identifiers
| CAS Number | 894389-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=N2 |
Product Overview
Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate (CAS 894389-53-8), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate.
Chemical Property Profile of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
Property Insights of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate
The XLogP value of 2.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate has 2 hydrogen bond donor(s) and 4 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 Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate?
The CAS number of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate is 894389-53-8.
What is the molecular formula of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate?
The molecular formula of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate is C16H17N3O3.
What is the molecular weight of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate?
The molecular weight of Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate is 299.13 g/mol.
Where can I buy Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate?
You can request a quote for Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(pyridin-2-ylmethylcarbamoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.