![[2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate structure](/static/products/4750/475050-65-8.webp)
[2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
TL;DR: [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CAS 475050-65-8) is a chemical compound with molecular formula C17H21ClFNO3 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
Also Known As: [2-(cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate|Cyclooctylcarbamoylmethyl 2-chloro-4-fluoro-benzoate|2-(Cyclooctylamino)-2-oxoethyl 2-chloro-4-fluorobenzoate|MLS002245753|SMR001309392
| Molecular Formula | C17H21ClFNO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.865 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1194 |
| Heavy Atoms | 23 |
| Complexity | 556.76953 |
Chemical Identifiers
| CAS Number | 475050-65-8 |
|---|---|
| SMILES | C1CCCC(CCC1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)Cl |
Product Overview
[2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CAS 475050-65-8), with molecular formula C17H21ClFNO3 and molecular weight 341.12 g/mol. IUPAC: [2-(cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
Chemical Property Profile of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
Property Insights of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
The XLogP value of 3.865 indicates that [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate 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-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The CAS number of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is 475050-65-8.
What is the molecular formula of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The molecular formula of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is C17H21ClFNO3.
What is the molecular weight of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The molecular weight of [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is 341.12 g/mol.
Where can I buy [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
You can request a quote for [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Cyclooctylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.