(2-Tert-butyl-5-methylphenyl) propanoate
TL;DR: (2-Tert-butyl-5-methylphenyl) propanoate (CAS 7501-14-6) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butyl-5-methylphenyl) propanoate
Also Known As: (2-tert-butyl-5-methylphenyl) propanoate, 2-t-butyl-5-methylphenyl propionate, (2-tert-butyl-5-methylphenyl)propanoate, 2-TERT-BUTYL-5-METHYLPHENYL PROPANOATE, RefChem:206304
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 7501-14-6 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=CC(=C1)C)C(C)(C)C |
| InChIKey | VRXPMCNIDCVXGF-UHFFFAOYSA-N |
Product Overview
(2-Tert-butyl-5-methylphenyl) propanoate (CAS 7501-14-6), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: (2-tert-butyl-5-methylphenyl) propanoate.
Chemical Property Profile of (2-Tert-butyl-5-methylphenyl) propanoate
Property Insights of (2-Tert-butyl-5-methylphenyl) propanoate
The XLogP value of 3.8 indicates that (2-Tert-butyl-5-methylphenyl) propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Tert-butyl-5-methylphenyl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Tert-butyl-5-methylphenyl) propanoate 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 (2-Tert-butyl-5-methylphenyl) propanoate?
The CAS number of (2-Tert-butyl-5-methylphenyl) propanoate is 7501-14-6.
What is the molecular formula of (2-Tert-butyl-5-methylphenyl) propanoate?
The molecular formula of (2-Tert-butyl-5-methylphenyl) propanoate is C14H20O2.
What is the molecular weight of (2-Tert-butyl-5-methylphenyl) propanoate?
The molecular weight of (2-Tert-butyl-5-methylphenyl) propanoate is 220.15 g/mol.
Where can I buy (2-Tert-butyl-5-methylphenyl) propanoate?
You can request a quote for (2-Tert-butyl-5-methylphenyl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Tert-butyl-5-methylphenyl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Tert-butyl-5-methylphenyl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.