(2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate
TL;DR: (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate (CAS 55129-59-4) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,7-dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate
Also Known As: (2,7-dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate, 2,7-Dioxo-2,3,4,5,6,7-hexahydro-1-benzoxonin-9-yl acetate, RefChem:205660
| Molecular Formula | C14H14O5 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08414 |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 55129-59-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC(=O)CCCCC2=O |
| InChIKey | KZQSBXDHZOHVKU-UHFFFAOYSA-N |
Product Overview
(2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate (CAS 55129-59-4), with molecular formula C14H14O5 and molecular weight 262.08 g/mol. IUPAC: (2,7-dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate.
Chemical Property Profile of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate
Property Insights of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate. Following Lipinski's Rule of Five, (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate 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 (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate?
The CAS number of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate is 55129-59-4.
What is the molecular formula of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate?
The molecular formula of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate is C14H14O5.
What is the molecular weight of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate?
The molecular weight of (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate is 262.08 g/mol.
Where can I buy (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate?
You can request a quote for (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2,7-Dioxo-3,4,5,6-tetrahydro-1-benzoxonin-9-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.