(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
TL;DR: (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one (CAS 489464-07-5) is a chemical compound with molecular formula C30H31NO3 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
Also Known As: (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one, (2E)-2-benzoxazol-2-yl-3-[4-(tert-butyl)phenyl]-1-(4-butoxyphenyl)prop-2-en-1- one, (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one, (E)-2-(benzo[d]oxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-(tert-butyl)phenyl)prop-2-en-1-one, 2-benzooxazol-2-yl-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
| Molecular Formula | C30H31NO3 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 7.7277 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.2304 |
| Heavy Atoms | 34 |
| Complexity | 1256.6455 |
Chemical Identifiers
| CAS Number | 489464-07-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(C)(C)C)/C3=NC4=CC=CC=C4O3 |
Product Overview
(2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one (CAS 489464-07-5), with molecular formula C30H31NO3 and molecular weight 453.23 g/mol. IUPAC: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one.
Chemical Property Profile of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
Property Insights of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one
The XLogP value of 7.7277 indicates that (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one?
The CAS number of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one is 489464-07-5.
What is the molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one?
The molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one is C30H31NO3.
What is the molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one?
The molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one is 453.23 g/mol.
Where can I buy (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one?
You can request a quote for (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-tert-butylphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.