![4-[Acetyloxy-methyl]benzaldehyde structure](/static/products/5454/54549-74-5.webp)
4-[Acetyloxy-methyl]benzaldehyde
TL;DR: 4-[Acetyloxy-methyl]benzaldehyde (CAS 54549-74-5) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl)methyl acetate
Also Known As: 4-Formylbenzyl acetate, (4-formylphenyl)methyl acetate, 4-Formylbenzyl acetate #, 4-Acetoxymethylbenzaldehyde, 4-[acetyloxy-methyl]benzaldehyde
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 54549-74-5 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(C=C1)C=O |
| InChIKey | JWHGCTVSBCLLCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[Acetyloxy-methyl]benzaldehyde (CAS 54549-74-5), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: (4-formylphenyl)methyl acetate.
Chemical Property Profile of 4-[Acetyloxy-methyl]benzaldehyde
Property Insights of 4-[Acetyloxy-methyl]benzaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Acetyloxy-methyl]benzaldehyde. With a topological polar surface area (TPSA) of 43.4 Ų, 4-[Acetyloxy-methyl]benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Acetyloxy-methyl]benzaldehyde has 0 hydrogen bond donor(s) and 3 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-[Acetyloxy-methyl]benzaldehyde?
The CAS number of 4-[Acetyloxy-methyl]benzaldehyde is 54549-74-5.
What is the molecular formula of 4-[Acetyloxy-methyl]benzaldehyde?
The molecular formula of 4-[Acetyloxy-methyl]benzaldehyde is C10H10O3.
What is the molecular weight of 4-[Acetyloxy-methyl]benzaldehyde?
The molecular weight of 4-[Acetyloxy-methyl]benzaldehyde is 178.06 g/mol.
Where can I buy 4-[Acetyloxy-methyl]benzaldehyde?
You can request a quote for 4-[Acetyloxy-methyl]benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Acetyloxy-methyl]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[Acetyloxy-methyl]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.