AB00115559-01
TL;DR: AB00115559-01 (CAS 384355-55-9) 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-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Also Known As: AB00115559-01, 3-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-(((2-chloro-5-(trifluoromethyl)phenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, 3-({[2-chloro-5-(trifluoromethyl)phenyl]amino}methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, 9-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-7,11-dioxaspiro[5.5]undecane-8,10-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 | 384355-55-9 |
|---|---|
| SMILES | C1CCC2(CC1)OC(=O)C(=CNC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O2 |
Product Overview
AB00115559-01 (CAS 384355-55-9), with molecular formula C17H15ClF3NO4 and molecular weight 389.06 g/mol. IUPAC: 3-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione.
Chemical Property Profile of AB00115559-01
Property Insights of AB00115559-01
The XLogP value of 4.415 indicates that AB00115559-01 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 AB00115559-01. Following Lipinski's Rule of Five, AB00115559-01 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 AB00115559-01?
The CAS number of AB00115559-01 is 384355-55-9.
What is the molecular formula of AB00115559-01?
The molecular formula of AB00115559-01 is C17H15ClF3NO4.
What is the molecular weight of AB00115559-01?
The molecular weight of AB00115559-01 is 389.06 g/mol.
Where can I buy AB00115559-01?
You can request a quote for AB00115559-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115559-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115559-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.