(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate
TL;DR: (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate (CAS 623122-65-6) is a chemical compound with molecular formula C16H12O5S and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] methanesulfonate
Also Known As: AB01321616-02, (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate, 2-benzylidene-6-methylsulfonyloxy-benzofuran-3-one, AO-022/42315675, (Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
| Molecular Formula | C16H12O5S |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 2.6412 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.04056 |
| Heavy Atoms | 22 |
| Complexity | 866.6641 |
Chemical Identifiers
| CAS Number | 623122-65-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3)/O2 |
Product Overview
(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate (CAS 623122-65-6), with molecular formula C16H12O5S and molecular weight 316.04 g/mol. IUPAC: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] methanesulfonate.
Chemical Property Profile of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate
Property Insights of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate
The XLogP value of 2.6412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate. Following Lipinski's Rule of Five, (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate 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 (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate?
The CAS number of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate is 623122-65-6.
What is the molecular formula of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate?
The molecular formula of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate is C16H12O5S.
What is the molecular weight of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate?
The molecular weight of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate is 316.04 g/mol.
Where can I buy (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate?
You can request a quote for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-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 (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.