![[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate structure](/static/products/7345/734536-23-3.webp)
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
TL;DR: [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate (CAS 734536-23-3) is a chemical compound with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(butylamino)-2-oxoethyl] 2-fluorobenzoate
Also Known As: [2-(butylamino)-2-oxoethyl] 2-fluorobenzoate|2-(Butylamino)-2-oxoethyl 2-fluorobenzoate|MLS001033581|SMR000363984
| Molecular Formula | C13H16FNO3 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 1.8988 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.11142 |
| Heavy Atoms | 18 |
| Complexity | 420.4523 |
Chemical Identifiers
| CAS Number | 734536-23-3 |
|---|---|
| SMILES | CCCCNC(=O)COC(=O)C1=CC=CC=C1F |
Product Overview
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate (CAS 734536-23-3), with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol. IUPAC: [2-(butylamino)-2-oxoethyl] 2-fluorobenzoate.
Chemical Property Profile of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
Property Insights of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
The XLogP value of 1.8988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Butylamino)-2-oxoethyl] 2-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-(Butylamino)-2-oxoethyl] 2-fluorobenzoate?
The CAS number of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate is 734536-23-3.
What is the molecular formula of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate?
The molecular formula of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate is C13H16FNO3.
What is the molecular weight of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate?
The molecular weight of [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate is 253.11 g/mol.
Where can I buy [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate?
You can request a quote for [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.