![[2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate structure](/static/products/7841/784187-11-7.webp)
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate
TL;DR: [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate (CAS 784187-11-7) is a chemical compound with molecular formula C18H17F2NO3 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate
Also Known As: [2-oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate|2-Oxo-2-[(3-phenylpropyl)amino]ethyl 3,5-difluorobenzoate|MLS001177517|SMR000588604
| Molecular Formula | C18H17F2NO3 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 2.8706 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.11765 |
| Heavy Atoms | 24 |
| Complexity | 684.415 |
Chemical Identifiers
| CAS Number | 784187-11-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC(=CC(=C2)F)F |
Product Overview
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate (CAS 784187-11-7), with molecular formula C18H17F2NO3 and molecular weight 333.12 g/mol. IUPAC: [2-oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate.
Chemical Property Profile of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate
Property Insights of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate
The XLogP value of 2.8706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate 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 [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate?
The CAS number of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate is 784187-11-7.
What is the molecular formula of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate?
The molecular formula of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate is C18H17F2NO3.
What is the molecular weight of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate?
The molecular weight of [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate is 333.12 g/mol.
Where can I buy [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate?
You can request a quote for [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(3-phenylpropylamino)ethyl] 3,5-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.