4-Methylbenzaldehyde propyleneglycol acetal
TL;DR: 4-Methylbenzaldehyde propyleneglycol acetal (CAS 58244-29-4) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(4-methylphenyl)-1,3-dioxolane
Also Known As: 4-methyl-2-(4-methylphenyl)-1,3-dioxolane, 1,3-Dioxolane, 4-methyl-2-(4-methylphenyl)-, FEMA NO. 4628, Tolyl aldehyde, propylene glycol acetal, 4-Methylbenzaldehyde propyleneglycol acetal
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
| Density | 1.041-1.051 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.507-1.515 |
Chemical Identifiers
| CAS Number | 58244-29-4 |
|---|---|
| SMILES | CC1COC(O1)C2=CC=C(C=C2)C |
| InChIKey | VPBUQMKUEPQXKR-UHFFFAOYSA-N |
Product Overview
4-Methylbenzaldehyde propyleneglycol acetal (CAS 58244-29-4), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-methyl-2-(4-methylphenyl)-1,3-dioxolane.
Chemical Property Profile of 4-Methylbenzaldehyde propyleneglycol acetal
Property Insights of 4-Methylbenzaldehyde propyleneglycol acetal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbenzaldehyde propyleneglycol acetal. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Methylbenzaldehyde propyleneglycol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbenzaldehyde propyleneglycol acetal 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 4-Methylbenzaldehyde propyleneglycol acetal?
The CAS number of 4-Methylbenzaldehyde propyleneglycol acetal is 58244-29-4.
What is the molecular formula of 4-Methylbenzaldehyde propyleneglycol acetal?
The molecular formula of 4-Methylbenzaldehyde propyleneglycol acetal is C11H14O2.
What is the molecular weight of 4-Methylbenzaldehyde propyleneglycol acetal?
The molecular weight of 4-Methylbenzaldehyde propyleneglycol acetal is 178.10 g/mol.
Where can I buy 4-Methylbenzaldehyde propyleneglycol acetal?
You can request a quote for 4-Methylbenzaldehyde propyleneglycol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzaldehyde propyleneglycol acetal?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzaldehyde propyleneglycol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.