tert-Butyl 2-phenylpropionate
TL;DR: tert-Butyl 2-phenylpropionate (CAS 2901-11-3) 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.
tert-butyl 2-phenylpropanoate
Also Known As: tert-butyl hydratropate, tert-butyl 2-phenylpropanoate, tert-Butyl 2-phenylpropionate, tert-butyl2-phenylpropionate, tert-Butyl (+/-)-2-phenylpropionate
| 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 | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 2901-11-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(=O)OC(C)(C)C |
| InChIKey | ANRMTVJCEZBLMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-phenylpropionate (CAS 2901-11-3), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: tert-butyl 2-phenylpropanoate.
Chemical Property Profile of tert-Butyl 2-phenylpropionate
Property Insights of tert-Butyl 2-phenylpropionate
The XLogP value of 3.3 indicates that tert-Butyl 2-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-phenylpropionate 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 tert-Butyl 2-phenylpropionate?
The CAS number of tert-Butyl 2-phenylpropionate is 2901-11-3.
What is the molecular formula of tert-Butyl 2-phenylpropionate?
The molecular formula of tert-Butyl 2-phenylpropionate is C13H18O2.
What is the molecular weight of tert-Butyl 2-phenylpropionate?
The molecular weight of tert-Butyl 2-phenylpropionate is 206.13 g/mol.
Where can I buy tert-Butyl 2-phenylpropionate?
You can request a quote for tert-Butyl 2-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.