1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate
TL;DR: 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate (CAS 6898-59-5) is a chemical compound with molecular formula C17H15ClFNO3 and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
Also Known As: 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate, [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
| Molecular Formula | C17H15ClFNO3 |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 3.97152 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07245 |
| Heavy Atoms | 23 |
| Complexity | 731.1184 |
Chemical Identifiers
| CAS Number | 6898-59-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate (CAS 6898-59-5), with molecular formula C17H15ClFNO3 and molecular weight 335.07 g/mol. IUPAC: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 4-fluorobenzoate.
Chemical Property Profile of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate
Property Insights of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate
The XLogP value of 3.97152 indicates that 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 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, 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 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 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate?
The CAS number of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate is 6898-59-5.
What is the molecular formula of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate?
The molecular formula of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate is C17H15ClFNO3.
What is the molecular weight of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate?
The molecular weight of 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate is 335.07 g/mol.
Where can I buy 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate?
You can request a quote for 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylanilino)-1-oxopropan-2-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.