(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
TL;DR: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate (CAS 620545-83-7) is a chemical compound with molecular formula C15H12O5S2 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
Also Known As: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate, VU0616673-1, AB01326023-02, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate, F3385-0304
| Molecular Formula | C15H12O5S2 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.01112 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0126 |
| Heavy Atoms | 22 |
| Complexity | 890.4067 |
Chemical Identifiers
| CAS Number | 620545-83-7 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C |
Product Overview
(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate (CAS 620545-83-7), with molecular formula C15H12O5S2 and molecular weight 336.01 g/mol. IUPAC: [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate.
Chemical Property Profile of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
Property Insights of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
The XLogP value of 3.01112 indicates that (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate. Following Lipinski's Rule of Five, (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate has 0 hydrogen bond donor(s) and 6 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 (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The CAS number of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 620545-83-7.
What is the molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is C15H12O5S2.
What is the molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 336.01 g/mol.
Where can I buy (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
You can request a quote for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.