1-(4-Tert-butylphenoxy)propan-2-yl butanoate
TL;DR: 1-(4-Tert-butylphenoxy)propan-2-yl butanoate (CAS 102434-32-2) is a chemical compound with molecular formula C17H26O3 and molecular weight 278.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenoxy)propan-2-yl butanoate
Also Known As: 1-(4-tert-butylphenoxy)propan-2-yl butanoate, KST-1A9578, Butanoic acid,2-[4-(1,1-dimethylethyl)phenoxy]-1-methylethyl ester
| Molecular Formula | C17H26O3 |
|---|---|
| Molecular Weight | 278.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1882 |
| Heavy Atoms | 20 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 102434-32-2 |
|---|---|
| SMILES | CCCC(=O)OC(C)COC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | AQVGUTSWELPYGA-UHFFFAOYSA-N |
Product Overview
1-(4-Tert-butylphenoxy)propan-2-yl butanoate (CAS 102434-32-2), with molecular formula C17H26O3 and molecular weight 278.19 g/mol. IUPAC: 1-(4-tert-butylphenoxy)propan-2-yl butanoate.
Chemical Property Profile of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate
Property Insights of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate
The XLogP value of 4.7 indicates that 1-(4-Tert-butylphenoxy)propan-2-yl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(4-Tert-butylphenoxy)propan-2-yl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenoxy)propan-2-yl butanoate has 0 hydrogen bond donor(s) and 3 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 1-(4-Tert-butylphenoxy)propan-2-yl butanoate?
The CAS number of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate is 102434-32-2.
What is the molecular formula of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate?
The molecular formula of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate is C17H26O3.
What is the molecular weight of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate?
The molecular weight of 1-(4-Tert-butylphenoxy)propan-2-yl butanoate is 278.19 g/mol.
Where can I buy 1-(4-Tert-butylphenoxy)propan-2-yl butanoate?
You can request a quote for 1-(4-Tert-butylphenoxy)propan-2-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Tert-butylphenoxy)propan-2-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylphenoxy)propan-2-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.