Ethyl 2-methyl-2-phenylbutanoate
TL;DR: Ethyl 2-methyl-2-phenylbutanoate (CAS 101267-34-9) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-2-phenylbutanoate
Also Known As: ethyl 2-methyl-2-phenylbutanoate, Ethyl 2-methyl-2-phenyl-butanoate, 2-methyl-2-phenyl-butyric acid ethyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.9174 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 318.56766 |
Chemical Identifiers
| CAS Number | 101267-34-9 |
|---|---|
| SMILES | CCC(C)(C1=CC=CC=C1)C(=O)OCC |
Product Overview
Ethyl 2-methyl-2-phenylbutanoate (CAS 101267-34-9), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-methyl-2-phenylbutanoate.
Chemical Property Profile of Ethyl 2-methyl-2-phenylbutanoate
Property Insights of Ethyl 2-methyl-2-phenylbutanoate
The XLogP value of 2.9174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-2-phenylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methyl-2-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-2-phenylbutanoate has 0 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 Ethyl 2-methyl-2-phenylbutanoate?
The CAS number of Ethyl 2-methyl-2-phenylbutanoate is 101267-34-9.
What is the molecular formula of Ethyl 2-methyl-2-phenylbutanoate?
The molecular formula of Ethyl 2-methyl-2-phenylbutanoate is C13H18O2.
What is the molecular weight of Ethyl 2-methyl-2-phenylbutanoate?
The molecular weight of Ethyl 2-methyl-2-phenylbutanoate is 206.13 g/mol.
Where can I buy Ethyl 2-methyl-2-phenylbutanoate?
You can request a quote for Ethyl 2-methyl-2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.