2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone
TL;DR: 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone (CAS 95592-70-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one
Also Known As: 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone, J1.426.100A, 2-methoxy-4-(2-methyl-[1,3]dioxolan-2-yl)-cycloheptatrienone, 2-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one, 2-Methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-2,4,6-cycloheptatrien-1-one
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 95592-70-4 |
|---|---|
| SMILES | CC1(OCCO1)C2=CC=CC(=O)C(=C2)OC |
| InChIKey | AQAXCJAKLYBPAO-UHFFFAOYSA-N |
Product Overview
2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone (CAS 95592-70-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone
Property Insights of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone 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 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone?
The CAS number of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone is 95592-70-4.
What is the molecular formula of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone?
The molecular formula of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone is C12H14O4.
What is the molecular weight of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone?
The molecular weight of 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone is 222.09 g/mol.
Where can I buy 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone?
You can request a quote for 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(1,1-ethylenedioxyethyl)tropone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.