4-Tert-butylphenyl propionate
TL;DR: 4-Tert-butylphenyl propionate (CAS 35154-02-0) 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.
(4-tert-butylphenyl) propanoate
Also Known As: 4-tert-butylphenyl propionate, (4-tert-butylphenyl) propanoate, 4-TERT-BUTYLPHENYL PROPANOATE, methyl-para-tert-butyl phenyl acetate, Propionic acid p-tert-butylphenyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.7 |
| 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 | 207.0 |
Chemical Identifiers
| CAS Number | 35154-02-0 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | MYEDOWTWYWKKAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butylphenyl propionate (CAS 35154-02-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: (4-tert-butylphenyl) propanoate.
Chemical Property Profile of 4-Tert-butylphenyl propionate
Property Insights of 4-Tert-butylphenyl propionate
The XLogP value of 3.7 indicates that 4-Tert-butylphenyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Tert-butylphenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butylphenyl propionate 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 4-Tert-butylphenyl propionate?
The CAS number of 4-Tert-butylphenyl propionate is 35154-02-0.
What is the molecular formula of 4-Tert-butylphenyl propionate?
The molecular formula of 4-Tert-butylphenyl propionate is C13H18O2.
What is the molecular weight of 4-Tert-butylphenyl propionate?
The molecular weight of 4-Tert-butylphenyl propionate is 206.13 g/mol.
Where can I buy 4-Tert-butylphenyl propionate?
You can request a quote for 4-Tert-butylphenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylphenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.