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Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate
TL;DR: Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate (CAS 6939-34-0) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate
Also Known As: ethyl hydroxy[4-(propan-2-yl)phenyl]acetate, ethyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate, J1.152.558J, Benzeneacetic acid, a-hydroxy-4-(1-methylethyl)-,ethyl ester, ethyl 2-hydroxy-2-[4-(propan-2-yl)phenyl]acetate
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6939-34-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)C(C)C)O |
| InChIKey | JVNUHPNUJLOTPY-UHFFFAOYSA-N |
Product Overview
Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate (CAS 6939-34-0), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: ethyl 2-hydroxy-2-(4-propan-2-ylphenyl)acetate.
Chemical Property Profile of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate
Property Insights of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate 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 Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate?
The CAS number of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate is 6939-34-0.
What is the molecular formula of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate?
The molecular formula of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate is C13H18O3.
What is the molecular weight of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate?
The molecular weight of Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate is 222.13 g/mol.
Where can I buy Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate?
You can request a quote for Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydroxy[4-(propan-2-yl)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.