Benzeneacetaldehyde, reaction products with 2-methylpropanal
TL;DR: Benzeneacetaldehyde, reaction products with 2-methylpropanal (CAS 68512-06-1) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropanal;2-phenylacetaldehyde
Also Known As: 2-methylpropanal; 2-phenylacetaldehyde, Benzeneacetaldehyde, reaction products with 2-methylpropanal, 270-955-8, EINECS 270-955-8, RefChem:117356
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.2693 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 68512-06-1 |
|---|---|
| SMILES | CC(C)C=O.C1=CC=C(C=C1)CC=O |
| InChIKey | QUIWBQRTXQXIPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetaldehyde, reaction products with 2-methylpropanal (CAS 68512-06-1), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-methylpropanal;2-phenylacetaldehyde.
Chemical Property Profile of Benzeneacetaldehyde, reaction products with 2-methylpropanal
Property Insights of Benzeneacetaldehyde, reaction products with 2-methylpropanal
The XLogP value of 2.2693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetaldehyde, reaction products with 2-methylpropanal. With a topological polar surface area (TPSA) of 34.1 Ų, Benzeneacetaldehyde, reaction products with 2-methylpropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetaldehyde, reaction products with 2-methylpropanal 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 Benzeneacetaldehyde, reaction products with 2-methylpropanal?
The CAS number of Benzeneacetaldehyde, reaction products with 2-methylpropanal is 68512-06-1.
What is the molecular formula of Benzeneacetaldehyde, reaction products with 2-methylpropanal?
The molecular formula of Benzeneacetaldehyde, reaction products with 2-methylpropanal is C12H16O2.
What is the molecular weight of Benzeneacetaldehyde, reaction products with 2-methylpropanal?
The molecular weight of Benzeneacetaldehyde, reaction products with 2-methylpropanal is 192.12 g/mol.
Where can I buy Benzeneacetaldehyde, reaction products with 2-methylpropanal?
You can request a quote for Benzeneacetaldehyde, reaction products with 2-methylpropanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetaldehyde, reaction products with 2-methylpropanal?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetaldehyde, reaction products with 2-methylpropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.