(3,3-Dimethoxy-2,2-dimethylpropyl)benzene
TL;DR: (3,3-Dimethoxy-2,2-dimethylpropyl)benzene (CAS 72727-59-4) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethoxy-2,2-dimethylpropyl)benzene
Also Known As: benzene, (3,3-Dimethoxy-2,2-dimethylpropyl)benzene, 1,1-Dimethoxy-2,2-dimethyl-3-phenylpropane, Benzene, (3,3-dimethoxy-2,2-dimethylpropyl)-, 2,2-Dimethyl-3-phenylpropanal dimethyl acetal
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 72727-59-4 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)C(OC)OC |
| InChIKey | ONRRGZQJJNDUPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,3-Dimethoxy-2,2-dimethylpropyl)benzene (CAS 72727-59-4), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: (3,3-dimethoxy-2,2-dimethylpropyl)benzene.
Chemical Property Profile of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene
Property Insights of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene
The XLogP value of 3.2 indicates that (3,3-Dimethoxy-2,2-dimethylpropyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, (3,3-Dimethoxy-2,2-dimethylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Dimethoxy-2,2-dimethylpropyl)benzene 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 (3,3-Dimethoxy-2,2-dimethylpropyl)benzene?
The CAS number of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene is 72727-59-4.
What is the molecular formula of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene?
The molecular formula of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene is C13H20O2.
What is the molecular weight of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene?
The molecular weight of (3,3-Dimethoxy-2,2-dimethylpropyl)benzene is 208.15 g/mol.
Where can I buy (3,3-Dimethoxy-2,2-dimethylpropyl)benzene?
You can request a quote for (3,3-Dimethoxy-2,2-dimethylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,3-Dimethoxy-2,2-dimethylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3,3-Dimethoxy-2,2-dimethylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.