3-乙酰氨基苯基乙酸酯
TL;DR: 3-乙酰氨基苯基乙酸酯 (CAS 16108-50-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰氨基苯基乙酸酯
1-(2-hydroxy-4,6-dimethylphenyl)ethanone
Also Known As: 1-(2-hydroxy-4,6-dimethylphenyl)ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)ethan-1-one, 3-ACETAMIDOPHENYL ACETATE, Ethanone, 1-(2-hydroxy-4,6-dimethylphenyl)-, Z-ILE-LEU-OH
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 16108-50-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)C(=O)C)C |
| InChIKey | AAPOVDIBCPRZPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙酰氨基苯基乙酸酯 (CAS 16108-50-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 1-(2-hydroxy-4,6-dimethylphenyl)ethanone.
Chemical Property Profile of 3-乙酰氨基苯基乙酸酯
Property Insights of 3-乙酰氨基苯基乙酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰氨基苯基乙酸酯. With a topological polar surface area (TPSA) of 37.3 Ų, 3-乙酰氨基苯基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙酰氨基苯基乙酸酯 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-乙酰氨基苯基乙酸酯?
The CAS number of 3-乙酰氨基苯基乙酸酯 is 16108-50-2.
What is the molecular formula of 3-乙酰氨基苯基乙酸酯?
The molecular formula of 3-乙酰氨基苯基乙酸酯 is C10H12O2.
What is the molecular weight of 3-乙酰氨基苯基乙酸酯?
The molecular weight of 3-乙酰氨基苯基乙酸酯 is 164.08 g/mol.
Where can I buy 3-乙酰氨基苯基乙酸酯?
You can request a quote for 3-乙酰氨基苯基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰氨基苯基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰氨基苯基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.