Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-
TL;DR: Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- (CAS 221392-07-0) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(3,3-dimethoxy-2-methylpropyl)benzene
Also Known As: Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-, 1-(3,3-dimethoxy-2-methyl-propyl)-4-tert-butyl-benzene, 1-TERT-BUTYL-4-(3,3-DIMETHOXY-2-METHYLPROPYL)BENZENE
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 3.7816 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 344.35486 |
Chemical Identifiers
| CAS Number | 221392-07-0 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)C(C)(C)C)C(OC)OC |
Product Overview
Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- (CAS 221392-07-0), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: 1-tert-butyl-4-(3,3-dimethoxy-2-methylpropyl)benzene.
Chemical Property Profile of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-
Property Insights of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-
The XLogP value of 3.7816 indicates that Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- has 0 hydrogen bond donor(s) and 2 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-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-?
The CAS number of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- is 221392-07-0.
What is the molecular formula of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-?
The molecular formula of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- is C16H26O2.
What is the molecular weight of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-?
The molecular weight of Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- is 250.19 g/mol.
Where can I buy Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-?
You can request a quote for Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(3,3-dimethoxy-2-methylpropyl)-4-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.