Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-
TL;DR: Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- (CAS 67845-33-4) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-methoxy-3,5-dimethylbenzene
Also Known As: 6-tert-Butyl-2,4-dimethylanisole, 6-tert-Butyl-2,4-dimethyl-1-methoxybenzene, 1-2-methoxy-3,5-dimethylbenzene, 1- -2-methoxy-3,5-dimethylbenzene, 1-tert-butyl-2-methoxy-3,5-dimethylbenzene
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 67845-33-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC)C |
| InChIKey | PZISTOMBMFSTQA-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- (CAS 67845-33-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 1-tert-butyl-2-methoxy-3,5-dimethylbenzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-
Property Insights of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-
The XLogP value of 4.3 indicates that Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- 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 Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-?
The CAS number of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- is 67845-33-4.
What is the molecular formula of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-?
The molecular formula of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- is C13H20O.
What is the molecular weight of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-?
The molecular weight of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- is 192.15 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-?
You can request a quote for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.