RefChem:1089128
TL;DR: RefChem:1089128 (CAS 81100-86-9) is a chemical compound with molecular formula C21H26F3N3O3S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropoxy)-1-[3-(trifluoromethoxy)phenyl]methanimine
Also Known As: Methanone, (5-ethyl-2-thiazolyl)(3-(trifluoromethoxy)phenyl)-, O-(2-methyl-3-(4-morpholinyl)propyl)oxime, O-((3-Morpholyl-1) 2-methylpropyl-1) ((5-ethylthiazolyl-2) (m-trifluoromethoxyphenyl))cetoxime, RefChem:1089128
| Molecular Formula | C21H26F3N3O3S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.3414 |
| Topological Polar Surface Area | 56.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.1647 |
| Heavy Atoms | 31 |
| Complexity | 866.7951 |
Chemical Identifiers
| CAS Number | 81100-86-9 |
|---|---|
| SMILES | CCC1=CN=C(S1)/C(=N\OCC(C)CN2CCOCC2)/C3=CC(=CC=C3)OC(F)(F)F |
Product Overview
RefChem:1089128 (CAS 81100-86-9), with molecular formula C21H26F3N3O3S and molecular weight 457.16 g/mol. IUPAC: (Z)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropoxy)-1-[3-(trifluoromethoxy)phenyl]methanimine.
Chemical Property Profile of RefChem:1089128
Property Insights of RefChem:1089128
The XLogP value of 4.3414 indicates that RefChem:1089128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.18 Ų, RefChem:1089128 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1089128 has 0 hydrogen bond donor(s) and 7 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 RefChem:1089128?
The CAS number of RefChem:1089128 is 81100-86-9.
What is the molecular formula of RefChem:1089128?
The molecular formula of RefChem:1089128 is C21H26F3N3O3S.
What is the molecular weight of RefChem:1089128?
The molecular weight of RefChem:1089128 is 457.16 g/mol.
Where can I buy RefChem:1089128?
You can request a quote for RefChem:1089128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1089128?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1089128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.