Benzeneacetaldehyde, 3,4-dimethyl-
TL;DR: Benzeneacetaldehyde, 3,4-dimethyl- (CAS 68844-97-3) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)acetaldehyde
Also Known As: 3,4-Xylylacetaldehyde, 2-(3,4-dimethylphenyl)acetaldehyde, 3,4-Dimethylphenylacetaldehyde, Benzeneacetaldehyde, 3,4-dimethyl-, (3,4-Dimethylphenyl)acetaldehyde
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 68844-97-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC=O)C |
| InChIKey | ZEDGDXNOJMGMMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetaldehyde, 3,4-dimethyl- (CAS 68844-97-3), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 2-(3,4-dimethylphenyl)acetaldehyde.
Chemical Property Profile of Benzeneacetaldehyde, 3,4-dimethyl-
Property Insights of Benzeneacetaldehyde, 3,4-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetaldehyde, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Benzeneacetaldehyde, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetaldehyde, 3,4-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 Benzeneacetaldehyde, 3,4-dimethyl-?
The CAS number of Benzeneacetaldehyde, 3,4-dimethyl- is 68844-97-3.
What is the molecular formula of Benzeneacetaldehyde, 3,4-dimethyl-?
The molecular formula of Benzeneacetaldehyde, 3,4-dimethyl- is C10H12O.
What is the molecular weight of Benzeneacetaldehyde, 3,4-dimethyl-?
The molecular weight of Benzeneacetaldehyde, 3,4-dimethyl- is 148.09 g/mol.
Where can I buy Benzeneacetaldehyde, 3,4-dimethyl-?
You can request a quote for Benzeneacetaldehyde, 3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetaldehyde, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetaldehyde, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.