ChemDiv3_012803
TL;DR: ChemDiv3_012803 (CAS 384357-95-3) is a chemical compound with molecular formula C17H15ClF3NO4 and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-2-(trifluoromethyl)anilino]methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: ChemDiv3_012803, 3-(((4-chloro-2-(trifluoromethyl)phenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, AB00116407-01, F1461-0379, 3-({[4-chloro-2-(trifluoromethyl)phenyl]amino}methylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
| Molecular Formula | C17H15ClF3NO4 |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.415 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.06418 |
| Heavy Atoms | 26 |
| Complexity | 747.7618 |
Chemical Identifiers
| CAS Number | 384357-95-3 |
|---|---|
| SMILES | C1CCC2(CC1)OC(=O)C(=CNC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)O2 |
Product Overview
ChemDiv3_012803 (CAS 384357-95-3), with molecular formula C17H15ClF3NO4 and molecular weight 389.06 g/mol. IUPAC: 3-[[4-chloro-2-(trifluoromethyl)anilino]methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of ChemDiv3_012803
Property Insights of ChemDiv3_012803
The XLogP value of 4.415 indicates that ChemDiv3_012803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012803. Following Lipinski's Rule of Five, ChemDiv3_012803 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_012803?
The CAS number of ChemDiv3_012803 is 384357-95-3.
What is the molecular formula of ChemDiv3_012803?
The molecular formula of ChemDiv3_012803 is C17H15ClF3NO4.
What is the molecular weight of ChemDiv3_012803?
The molecular weight of ChemDiv3_012803 is 389.06 g/mol.
Where can I buy ChemDiv3_012803?
You can request a quote for ChemDiv3_012803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012803?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.