4-(1,1-Ethylenedioxyethyl)tropolone
TL;DR: 4-(1,1-Ethylenedioxyethyl)tropolone (CAS 94407-37-1) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one
Also Known As: 4-(1,1-Ethylenedioxyethyl)tropolone, 4-(2-methyl-[1,3]dioxolan-2-yl)-tropolone, J1.424.403D, 2-hydroxy-6-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one, 2-Hydroxy-4-(2-methyl-1,3-dioxolan-2-yl)-2,4,6-cycloheptatrien-1-one #
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 94407-37-1 |
|---|---|
| SMILES | CC1(OCCO1)C2=CC(=O)C(=CC=C2)O |
| InChIKey | MDOHUTIOBRYGDK-UHFFFAOYSA-N |
Product Overview
4-(1,1-Ethylenedioxyethyl)tropolone (CAS 94407-37-1), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-hydroxy-6-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4-(1,1-Ethylenedioxyethyl)tropolone
Property Insights of 4-(1,1-Ethylenedioxyethyl)tropolone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Ethylenedioxyethyl)tropolone. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(1,1-Ethylenedioxyethyl)tropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Ethylenedioxyethyl)tropolone has 1 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 4-(1,1-Ethylenedioxyethyl)tropolone?
The CAS number of 4-(1,1-Ethylenedioxyethyl)tropolone is 94407-37-1.
What is the molecular formula of 4-(1,1-Ethylenedioxyethyl)tropolone?
The molecular formula of 4-(1,1-Ethylenedioxyethyl)tropolone is C11H12O4.
What is the molecular weight of 4-(1,1-Ethylenedioxyethyl)tropolone?
The molecular weight of 4-(1,1-Ethylenedioxyethyl)tropolone is 208.07 g/mol.
Where can I buy 4-(1,1-Ethylenedioxyethyl)tropolone?
You can request a quote for 4-(1,1-Ethylenedioxyethyl)tropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Ethylenedioxyethyl)tropolone?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Ethylenedioxyethyl)tropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.