1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
TL;DR: 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate (CAS 6321-68-2) is a chemical compound with molecular formula C19H30O3 and molecular weight 306.22 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 2-ethylbutanoate
Also Known As: 1-(4-tert-butylphenoxy)propan-2-yl 2-ethylbutanoate, KST-1B6614, 1-(2-Nitro-phenyl)-butan-1,3-dion
| Molecular Formula | C19H30O3 |
|---|---|
| Molecular Weight | 306.22 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 306.21948 |
| Heavy Atoms | 22 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 6321-68-2 |
|---|---|
| SMILES | CCC(CC)C(=O)OC(C)COC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | MLQDJKDUWLFKBB-UHFFFAOYSA-N |
Product Overview
1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate (CAS 6321-68-2), with molecular formula C19H30O3 and molecular weight 306.22 g/mol. IUPAC: 1-(4-tert-butylphenoxy)propan-2-yl 2-ethylbutanoate.
Chemical Property Profile of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
Property Insights of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate
The XLogP value of 5.6 indicates that 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate 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 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate?
The CAS number of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate is 6321-68-2.
What is the molecular formula of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate?
The molecular formula of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate is C19H30O3.
What is the molecular weight of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate?
The molecular weight of 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate is 306.22 g/mol.
Where can I buy 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate?
You can request a quote for 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate 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 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylphenoxy)propan-2-yl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.