(Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
TL;DR: (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate (CAS 674813-89-9) is a chemical compound with molecular formula C16H11NO7S and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
Also Known As: (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate, VU0510445-1, (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate, [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate, 2-[(3-nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl methylsulfonate
| Molecular Formula | C16H11NO7S |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 2.5494 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.02563 |
| Heavy Atoms | 25 |
| Complexity | 1024.5288 |
Chemical Identifiers
| CAS Number | 674813-89-9 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/O2 |
Product Overview
(Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate (CAS 674813-89-9), with molecular formula C16H11NO7S and molecular weight 361.03 g/mol. IUPAC: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate.
Chemical Property Profile of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
Property Insights of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
The XLogP value of 2.5494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate. Following Lipinski's Rule of Five, (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate 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 (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The CAS number of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 674813-89-9.
What is the molecular formula of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular formula of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is C16H11NO7S.
What is the molecular weight of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular weight of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 361.03 g/mol.
Where can I buy (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
You can request a quote for (Z)-2-(3-nitrobenzylidene)-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-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.