Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
TL;DR: Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- (CAS 67785-72-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dimethoxymethyl)-4-propan-2-ylbenzene
Also Known As: p-(Dimethoxymethyl) cumene, Cuminaldehyde dimethyl acetal, Cuminic aldehyde dimethyl acetal, Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-, 1-(dimethoxymethyl)-4-propan-2-ylbenzene
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 67785-72-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(OC)OC |
| InChIKey | MKTYGYDXBXBRFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- (CAS 67785-72-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 1-(dimethoxymethyl)-4-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
Property Insights of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- 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-(dimethoxymethyl)-4-(1-methylethyl)-?
The CAS number of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- is 67785-72-2.
What is the molecular formula of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-?
The molecular formula of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- is C12H18O2.
What is the molecular weight of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-?
The molecular weight of Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- is 194.13 g/mol.
Where can I buy Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-?
You can request a quote for Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(dimethoxymethyl)-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.