4-Acetamidobenzaldehyde
TL;DR: 4-Acetamidobenzaldehyde (CAS 122-85-0) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-formylphenyl)acetamide
Also Known As: 4-Acetamidobenzaldehyde, N-(4-Formylphenyl)acetamide, Micotiazone, p-Formylacetanilide, 4'-Formylacetanilide
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 122-85-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C=O |
| InChIKey | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetamidobenzaldehyde (CAS 122-85-0), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: N-(4-formylphenyl)acetamide.
Chemical Property Profile of 4-Acetamidobenzaldehyde
Property Insights of 4-Acetamidobenzaldehyde
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamidobenzaldehyde. With a topological polar surface area (TPSA) of 46.2 Ų, 4-Acetamidobenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetamidobenzaldehyde has 1 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-Acetamidobenzaldehyde?
The CAS number of 4-Acetamidobenzaldehyde is 122-85-0.
What is the molecular formula of 4-Acetamidobenzaldehyde?
The molecular formula of 4-Acetamidobenzaldehyde is C9H9NO2.
What is the molecular weight of 4-Acetamidobenzaldehyde?
The molecular weight of 4-Acetamidobenzaldehyde is 163.06 g/mol.
Where can I buy 4-Acetamidobenzaldehyde?
You can request a quote for 4-Acetamidobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamidobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamidobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.