![[2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate structure](/static/products/848/848339-50-4.png)
[2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate
TL;DR: [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate (CAS 848339-50-4) is a chemical compound with molecular formula C15H17F2NO3 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate
Also Known As: [2-(azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate|AB00742397-01|2-(azepan-1-yl)-2-oxoethyl 2,4-difluorobenzoate|SR-01000073933-1
| Molecular Formula | C15H17F2NO3 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 2.5242 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.11765 |
| Heavy Atoms | 21 |
| Complexity | 525.6501 |
Chemical Identifiers
| CAS Number | 848339-50-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)F)F |
Product Overview
[2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate (CAS 848339-50-4), with molecular formula C15H17F2NO3 and molecular weight 297.12 g/mol. IUPAC: [2-(azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate.
Chemical Property Profile of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate
Property Insights of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate
The XLogP value of 2.5242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate. With a topological polar surface area (TPSA) of 46.61 Ų, [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate has 0 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-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate?
The CAS number of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate is 848339-50-4.
What is the molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular formula of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate is C15H17F2NO3.
What is the molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular weight of [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate is 297.12 g/mol.
Where can I buy [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate?
You can request a quote for [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.