![6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione structure](/static/products/5117/5117-45-3.webp)
6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione
TL;DR: 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione (CAS 5117-45-3) is a chemical compound with molecular formula C13H9ClO4 and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione
Also Known As: 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione, 6-Chloro-4-ethyl-1H-pyrano[3,4-b][1]benzofuran-1,3(4H)-dione
| Molecular Formula | C13H9ClO4 |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.01895 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5117-45-3 |
|---|---|
| SMILES | CCC1C2=C(C(=O)OC1=O)OC3=C2C=C(C=C3)Cl |
| InChIKey | FUWGIFRLIZMKGG-UHFFFAOYSA-N |
Product Overview
6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione (CAS 5117-45-3), with molecular formula C13H9ClO4 and molecular weight 264.02 g/mol. IUPAC: 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione.
Chemical Property Profile of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione
Property Insights of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione
The XLogP value of 3.5 indicates that 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione has 0 hydrogen bond donor(s) and 4 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 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione?
The CAS number of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione is 5117-45-3.
What is the molecular formula of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione?
The molecular formula of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione is C13H9ClO4.
What is the molecular weight of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione?
The molecular weight of 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione is 264.02 g/mol.
Where can I buy 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione?
You can request a quote for 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-ethyl-4H-pyrano[3,4-b][1]benzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.