3-Formylphenyl acetate
TL;DR: 3-Formylphenyl acetate (CAS 34231-78-2) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formylphenyl) acetate
Also Known As: 3-Formylphenyl acetate, 3-Acetoxybenzaldehyde, (3-formylphenyl) acetate, Benzaldehyde, 3-(acetyloxy)-, 3-Formylphenylacetate
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 34231-78-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)C=O |
| InChIKey | GVUMZPWBUAGJBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Formylphenyl acetate (CAS 34231-78-2), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: (3-formylphenyl) acetate.
Chemical Property Profile of 3-Formylphenyl acetate
Property Insights of 3-Formylphenyl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylphenyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Formylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formylphenyl acetate 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 3-Formylphenyl acetate?
The CAS number of 3-Formylphenyl acetate is 34231-78-2.
What is the molecular formula of 3-Formylphenyl acetate?
The molecular formula of 3-Formylphenyl acetate is C9H8O3.
What is the molecular weight of 3-Formylphenyl acetate?
The molecular weight of 3-Formylphenyl acetate is 164.05 g/mol.
Where can I buy 3-Formylphenyl acetate?
You can request a quote for 3-Formylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.