C21H18ClFO5
TL;DR: C21H18ClFO5 (CAS 845808-85-7) is a chemical compound with molecular formula C21H18ClFO5 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
Also Known As: (Z)-tert-butyl 2-((2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate, tert-butyl {[(2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, tert-butyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate, tert-butyl 2-{2-[(6-chloro-2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6- yloxy}acetate
| Molecular Formula | C21H18ClFO5 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 4.8158 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.08267 |
| Heavy Atoms | 28 |
| Complexity | 954.99664 |
Chemical Identifiers
| CAS Number | 845808-85-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/O2 |
Product Overview
C21H18ClFO5 (CAS 845808-85-7), with molecular formula C21H18ClFO5 and molecular weight 404.08 g/mol. IUPAC: tert-butyl 2-[[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate.
Chemical Property Profile of C21H18ClFO5
Property Insights of C21H18ClFO5
The XLogP value of 4.8158 indicates that C21H18ClFO5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18ClFO5. Following Lipinski's Rule of Five, C21H18ClFO5 has 0 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 C21H18ClFO5?
The CAS number of C21H18ClFO5 is 845808-85-7.
What is the molecular formula of C21H18ClFO5?
The molecular formula of C21H18ClFO5 is C21H18ClFO5.
What is the molecular weight of C21H18ClFO5?
The molecular weight of C21H18ClFO5 is 404.08 g/mol.
Where can I buy C21H18ClFO5?
You can request a quote for C21H18ClFO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClFO5?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClFO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.