Phenol, 4-amino-3,5-dimethyl-, acetate (ester)
TL;DR: Phenol, 4-amino-3,5-dimethyl-, acetate (ester) (CAS 52608-59-0) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3,5-dimethylphenyl) acetate
Also Known As: 4-Acetoxy-2,6-xylidine, 4-amino-3,5-dimethylphenyl acetate, 4-Hydroxy-2,6-dimethylacetanilide, (4-amino-3,5-dimethylphenyl) acetate, 4-Amino-3,5-dimethylphenol Acetate
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 52608-59-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)C)OC(=O)C |
| InChIKey | REJOKVIJMOKWPZ-UHFFFAOYSA-N |
Product Overview
Phenol, 4-amino-3,5-dimethyl-, acetate (ester) (CAS 52608-59-0), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: (4-amino-3,5-dimethylphenyl) acetate.
Chemical Property Profile of Phenol, 4-amino-3,5-dimethyl-, acetate (ester)
Property Insights of Phenol, 4-amino-3,5-dimethyl-, acetate (ester)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-amino-3,5-dimethyl-, acetate (ester). With a topological polar surface area (TPSA) of 52.3 Ų, Phenol, 4-amino-3,5-dimethyl-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-amino-3,5-dimethyl-, acetate (ester) has 1 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 Phenol, 4-amino-3,5-dimethyl-, acetate (ester)?
The CAS number of Phenol, 4-amino-3,5-dimethyl-, acetate (ester) is 52608-59-0.
What is the molecular formula of Phenol, 4-amino-3,5-dimethyl-, acetate (ester)?
The molecular formula of Phenol, 4-amino-3,5-dimethyl-, acetate (ester) is C10H13NO2.
What is the molecular weight of Phenol, 4-amino-3,5-dimethyl-, acetate (ester)?
The molecular weight of Phenol, 4-amino-3,5-dimethyl-, acetate (ester) is 179.09 g/mol.
Where can I buy Phenol, 4-amino-3,5-dimethyl-, acetate (ester)?
You can request a quote for Phenol, 4-amino-3,5-dimethyl-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-amino-3,5-dimethyl-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-amino-3,5-dimethyl-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.