(1,2,2-Trimethoxyethyl)benzene
TL;DR: (1,2,2-Trimethoxyethyl)benzene (CAS 54845-42-0) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,2-trimethoxyethylbenzene
Also Known As: Benzene, -, (1,2,2-Trimethoxyethyl)benzene, 1,2,2-trimethoxyethylbenzene, 1,2,2-trimethoxyethylben-zene, Benzene, (1,2,2-trimethoxyethyl)-
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 54845-42-0 |
|---|---|
| SMILES | COC(C1=CC=CC=C1)C(OC)OC |
| InChIKey | UDAWBGDTYWEDKT-UHFFFAOYSA-N |
Product Overview
(1,2,2-Trimethoxyethyl)benzene (CAS 54845-42-0), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 1,2,2-trimethoxyethylbenzene.
Chemical Property Profile of (1,2,2-Trimethoxyethyl)benzene
Property Insights of (1,2,2-Trimethoxyethyl)benzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,2-Trimethoxyethyl)benzene. With a topological polar surface area (TPSA) of 27.7 Ų, (1,2,2-Trimethoxyethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,2-Trimethoxyethyl)benzene has 0 hydrogen bond donor(s) and 3 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 (1,2,2-Trimethoxyethyl)benzene?
The CAS number of (1,2,2-Trimethoxyethyl)benzene is 54845-42-0.
What is the molecular formula of (1,2,2-Trimethoxyethyl)benzene?
The molecular formula of (1,2,2-Trimethoxyethyl)benzene is C11H16O3.
What is the molecular weight of (1,2,2-Trimethoxyethyl)benzene?
The molecular weight of (1,2,2-Trimethoxyethyl)benzene is 196.11 g/mol.
Where can I buy (1,2,2-Trimethoxyethyl)benzene?
You can request a quote for (1,2,2-Trimethoxyethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,2-Trimethoxyethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,2,2-Trimethoxyethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.