Ethyl 2-(butan-2-yl)benzoate
TL;DR: Ethyl 2-(butan-2-yl)benzoate (CAS 51682-77-0) 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-butan-2-ylbenzoate
Also Known As: ethyl 2-(butan-2-yl)benzoate, ethyl 2-butan-2-ylbenzoate, 2-sec-Butylbenzoic acid ethyl ester, J2.523.745E, 4,6-bis-isopropylamino-1H-[1,3,5]triazine-2-thione
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 51682-77-0 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1C(=O)OCC |
| InChIKey | YIRKOLCHXSTLLA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(butan-2-yl)benzoate (CAS 51682-77-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-butan-2-ylbenzoate.
Chemical Property Profile of Ethyl 2-(butan-2-yl)benzoate
Property Insights of Ethyl 2-(butan-2-yl)benzoate
The XLogP value of 3.3 indicates that Ethyl 2-(butan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(butan-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(butan-2-yl)benzoate 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-(butan-2-yl)benzoate?
The CAS number of Ethyl 2-(butan-2-yl)benzoate is 51682-77-0.
What is the molecular formula of Ethyl 2-(butan-2-yl)benzoate?
The molecular formula of Ethyl 2-(butan-2-yl)benzoate is C13H18O2.
What is the molecular weight of Ethyl 2-(butan-2-yl)benzoate?
The molecular weight of Ethyl 2-(butan-2-yl)benzoate is 206.13 g/mol.
Where can I buy Ethyl 2-(butan-2-yl)benzoate?
You can request a quote for Ethyl 2-(butan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(butan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(butan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.