Benzenepropanal, alpha,alpha-dimethyl-
TL;DR: Benzenepropanal, alpha,alpha-dimethyl- (CAS 1009-62-7) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-phenylpropanal
Also Known As: 2,2-dimethyl-3-phenylpropanal, 2,2-Dimethyl-3-phenylpropionaldehyde, Dimethyl benzenepropanal, Benzenepropanal, alpha,alpha-dimethyl-, Benzenepropanal, a,a-dimethyl-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1009-62-7 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)C=O |
| InChIKey | KYUNECWPKRYPJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenepropanal, alpha,alpha-dimethyl- (CAS 1009-62-7), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2,2-dimethyl-3-phenylpropanal.
Chemical Property Profile of Benzenepropanal, alpha,alpha-dimethyl-
Property Insights of Benzenepropanal, alpha,alpha-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanal, alpha,alpha-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Benzenepropanal, alpha,alpha-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanal, alpha,alpha-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 Benzenepropanal, alpha,alpha-dimethyl-?
The CAS number of Benzenepropanal, alpha,alpha-dimethyl- is 1009-62-7.
What is the molecular formula of Benzenepropanal, alpha,alpha-dimethyl-?
The molecular formula of Benzenepropanal, alpha,alpha-dimethyl- is C11H14O.
What is the molecular weight of Benzenepropanal, alpha,alpha-dimethyl-?
The molecular weight of Benzenepropanal, alpha,alpha-dimethyl- is 162.10 g/mol.
Where can I buy Benzenepropanal, alpha,alpha-dimethyl-?
You can request a quote for Benzenepropanal, alpha,alpha-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanal, alpha,alpha-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanal, alpha,alpha-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.