Ethyl 2-(3-propylaminopropanoylamino)benzoate
TL;DR: Ethyl 2-(3-propylaminopropanoylamino)benzoate (CAS 33717-43-0) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(propylamino)propanoylamino]benzoate
Also Known As: ETHYL 2-(3-PROPYLAMINOPROPANOYLAMINO)BENZOATE, Ethyl 2-[(N-propyl-beta-alanyl)amino]benzoate, ethyl 2-[3-(propylamino)propanoylamino]benzoate
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 33717-43-0 |
|---|---|
| SMILES | CCCNCCC(=O)NC1=CC=CC=C1C(=O)OCC |
| InChIKey | JYRPWIUVGWZADD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-propylaminopropanoylamino)benzoate (CAS 33717-43-0), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: ethyl 2-[3-(propylamino)propanoylamino]benzoate.
Chemical Property Profile of Ethyl 2-(3-propylaminopropanoylamino)benzoate
Property Insights of Ethyl 2-(3-propylaminopropanoylamino)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-propylaminopropanoylamino)benzoate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-propylaminopropanoylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(3-propylaminopropanoylamino)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 2-(3-propylaminopropanoylamino)benzoate?
The CAS number of Ethyl 2-(3-propylaminopropanoylamino)benzoate is 33717-43-0.
What is the molecular formula of Ethyl 2-(3-propylaminopropanoylamino)benzoate?
The molecular formula of Ethyl 2-(3-propylaminopropanoylamino)benzoate is C15H22N2O3.
What is the molecular weight of Ethyl 2-(3-propylaminopropanoylamino)benzoate?
The molecular weight of Ethyl 2-(3-propylaminopropanoylamino)benzoate is 278.16 g/mol.
Where can I buy Ethyl 2-(3-propylaminopropanoylamino)benzoate?
You can request a quote for Ethyl 2-(3-propylaminopropanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-propylaminopropanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-propylaminopropanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.