7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate
TL;DR: 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate (CAS 7238-98-4) is a chemical compound with molecular formula C11H11ClO6 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(chloromethyl)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl] acetate
Also Known As: 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate
| Molecular Formula | C11H11ClO6 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 0.3632 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0244 |
| Heavy Atoms | 18 |
| Complexity | 462.4498 |
Chemical Identifiers
| CAS Number | 7238-98-4 |
|---|---|
| SMILES | CC(=O)OC12CCC(O1)C3(C2C(=O)OC3=O)CCl |
Product Overview
7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate (CAS 7238-98-4), with molecular formula C11H11ClO6 and molecular weight 274.02 g/mol. IUPAC: [6-(chloromethyl)-3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-1-yl] acetate.
Chemical Property Profile of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate
Property Insights of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate
The XLogP value of 0.3632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate. Following Lipinski's Rule of Five, 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate 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 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate?
The CAS number of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate is 7238-98-4.
What is the molecular formula of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate?
The molecular formula of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate is C11H11ClO6.
What is the molecular weight of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate?
The molecular weight of 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate is 274.02 g/mol.
Where can I buy 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate?
You can request a quote for 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7a-(Chloromethyl)-1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.