3-(4-Tert-butylphenoxy)butan-2-one
TL;DR: 3-(4-Tert-butylphenoxy)butan-2-one (CAS 160875-28-5) 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.
3-(4-tert-butylphenoxy)butan-2-one
Also Known As: 3-(4-tert-butylphenoxy)butan-2-one, 3-[4-(tert-butyl)phenoxy]-2-butanone, 3-[4-(tert-butyl)phenoxy]butan-2-one, 2-Butanone, 3-(4-tert-butylphenoxy)-, 3-(4-tert-Butylphenoxy)-2-butanone #
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 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 | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 160875-28-5 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | MLSSIEQFQKQUCS-UHFFFAOYSA-N |
Product Overview
3-(4-Tert-butylphenoxy)butan-2-one (CAS 160875-28-5), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 3-(4-tert-butylphenoxy)butan-2-one.
Chemical Property Profile of 3-(4-Tert-butylphenoxy)butan-2-one
Property Insights of 3-(4-Tert-butylphenoxy)butan-2-one
The XLogP value of 3.7 indicates that 3-(4-Tert-butylphenoxy)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Tert-butylphenoxy)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tert-butylphenoxy)butan-2-one 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 3-(4-Tert-butylphenoxy)butan-2-one?
The CAS number of 3-(4-Tert-butylphenoxy)butan-2-one is 160875-28-5.
What is the molecular formula of 3-(4-Tert-butylphenoxy)butan-2-one?
The molecular formula of 3-(4-Tert-butylphenoxy)butan-2-one is C14H20O2.
What is the molecular weight of 3-(4-Tert-butylphenoxy)butan-2-one?
The molecular weight of 3-(4-Tert-butylphenoxy)butan-2-one is 220.15 g/mol.
Where can I buy 3-(4-Tert-butylphenoxy)butan-2-one?
You can request a quote for 3-(4-Tert-butylphenoxy)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Tert-butylphenoxy)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tert-butylphenoxy)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.