5-tert-Butoxy-m-xylene
TL;DR: 5-tert-Butoxy-m-xylene (CAS 68856-26-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 5-tert-Butoxy-m-xylene, 1-tert-butoxy-3,5-dimethylbenzene, Benzene, 1-(1,1-dimethylethoxy)-3,5-dimethyl-, 1-(TERT-BUTOXY)-3,5-DIMETHYLBENZENE, 1-(1,1-DIMETHYLETHOXY)-3,5-DIMETHYLBENZENE
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 68856-26-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(C)(C)C)C |
| InChIKey | FOMVFPYJDBUIFD-UHFFFAOYSA-N |
Product Overview
5-tert-Butoxy-m-xylene (CAS 68856-26-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of 5-tert-Butoxy-m-xylene
Property Insights of 5-tert-Butoxy-m-xylene
The XLogP value of 3.6 indicates that 5-tert-Butoxy-m-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 5-tert-Butoxy-m-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butoxy-m-xylene has 0 hydrogen bond donor(s) and 1 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 5-tert-Butoxy-m-xylene?
The CAS number of 5-tert-Butoxy-m-xylene is 68856-26-8.
What is the molecular formula of 5-tert-Butoxy-m-xylene?
The molecular formula of 5-tert-Butoxy-m-xylene is C12H18O.
What is the molecular weight of 5-tert-Butoxy-m-xylene?
The molecular weight of 5-tert-Butoxy-m-xylene is 178.14 g/mol.
Where can I buy 5-tert-Butoxy-m-xylene?
You can request a quote for 5-tert-Butoxy-m-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butoxy-m-xylene?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butoxy-m-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.