3'-Aminoacetophenone
TL;DR: 3'-Aminoacetophenone (CAS 99-03-6) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-aminophenyl)ethanone
Also Known As: 3'-Aminoacetophenone, 1-(3-Aminophenyl)ethanone, 3-Acetylaniline, m-Aminoacetophenone, 3-AMINOACETOPHENONE
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 99-03-6 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)N |
| InChIKey | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Aminoacetophenone (CAS 99-03-6), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 1-(3-aminophenyl)ethanone.
Chemical Property Profile of 3'-Aminoacetophenone
Property Insights of 3'-Aminoacetophenone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Aminoacetophenone. With a topological polar surface area (TPSA) of 43.1 Ų, 3'-Aminoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Aminoacetophenone 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 3'-Aminoacetophenone?
The CAS number of 3'-Aminoacetophenone is 99-03-6.
What is the molecular formula of 3'-Aminoacetophenone?
The molecular formula of 3'-Aminoacetophenone is C8H9NO.
What is the molecular weight of 3'-Aminoacetophenone?
The molecular weight of 3'-Aminoacetophenone is 135.07 g/mol.
Where can I buy 3'-Aminoacetophenone?
You can request a quote for 3'-Aminoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Aminoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Aminoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.