C20H10ClFO4S
TL;DR: C20H10ClFO4S (CAS 845670-25-9) is a chemical compound with molecular formula C20H10ClFO4S and molecular weight 400.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
Also Known As: (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl thiophene-2-carboxylate, (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate, 2-[(6-chloro-2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl thiophene-2 -carboxylate
| Molecular Formula | C20H10ClFO4S |
|---|---|
| Molecular Weight | 400.00 g/mol |
| LogP | 5.376 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.99722 |
| Heavy Atoms | 27 |
| Complexity | 1069.1161 |
Chemical Identifiers
| CAS Number | 845670-25-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4)F |
Product Overview
C20H10ClFO4S (CAS 845670-25-9), with molecular formula C20H10ClFO4S and molecular weight 400.00 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate.
Chemical Property Profile of C20H10ClFO4S
Property Insights of C20H10ClFO4S
The XLogP value of 5.376 indicates that C20H10ClFO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C20H10ClFO4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H10ClFO4S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H10ClFO4S?
The CAS number of C20H10ClFO4S is 845670-25-9.
What is the molecular formula of C20H10ClFO4S?
The molecular formula of C20H10ClFO4S is C20H10ClFO4S.
What is the molecular weight of C20H10ClFO4S?
The molecular weight of C20H10ClFO4S is 400.00 g/mol.
Where can I buy C20H10ClFO4S?
You can request a quote for C20H10ClFO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H10ClFO4S?
Yes, KEHONG BIO provides custom synthesis services for C20H10ClFO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.