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Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate
TL;DR: Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate (CAS 259792-94-4) is a chemical compound with molecular formula C18H24F3NO4 and molecular weight 375.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-[N-methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate
Also Known As: CROCONAZOLEHYDROCHLORIDE, methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate, methyl 9-[N-methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate, METHYL9-[METHYL-4- ANILINO]-9-OXONONANOATE, methyl 8-{methyl[4-(trifluoromethoxy)phenyl]carbamoyl}octanoate
| Molecular Formula | C18H24F3NO4 |
|---|---|
| Molecular Weight | 375.17 g/mol |
| LogP | 4.4517 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 375.16574 |
| Heavy Atoms | 26 |
| Complexity | 572.79407 |
Chemical Identifiers
| CAS Number | 259792-94-4 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)OC(F)(F)F)C(=O)CCCCCCCC(=O)OC |
Product Overview
Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate (CAS 259792-94-4), with molecular formula C18H24F3NO4 and molecular weight 375.17 g/mol. IUPAC: methyl 9-[N-methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate.
Chemical Property Profile of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate
Property Insights of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate
The XLogP value of 4.4517 indicates that Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate has 0 hydrogen bond donor(s) and 4 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 Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate?
The CAS number of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate is 259792-94-4.
What is the molecular formula of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate?
The molecular formula of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate is C18H24F3NO4.
What is the molecular weight of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate?
The molecular weight of Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate is 375.17 g/mol.
Where can I buy Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate?
You can request a quote for Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-[methyl-4-(trifluoromethoxy)anilino]-9-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.