4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone
TL;DR: 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone (CAS 134336-72-4) is a chemical compound with molecular formula C26H30O5 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid
Also Known As: 4-t-butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone
| Molecular Formula | C26H30O5 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.20932 |
| Heavy Atoms | 31 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 134336-72-4 |
|---|---|
| SMILES | CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(C)(C)C)OCC(=O)O)C |
| InChIKey | ANQKJBMYDIXLBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone (CAS 134336-72-4), with molecular formula C26H30O5 and molecular weight 422.21 g/mol. IUPAC: 2-[2-[3-(4-tert-butylphenyl)prop-2-enoyl]-5-(3-methylbut-2-enoxy)phenoxy]acetic acid.
Chemical Property Profile of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone
Property Insights of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone
The XLogP value of 6.4 indicates that 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone. Following Lipinski's Rule of Five, 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone?
The CAS number of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone is 134336-72-4.
What is the molecular formula of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone?
The molecular formula of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone is C26H30O5.
What is the molecular weight of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone?
The molecular weight of 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone is 422.21 g/mol.
Where can I buy 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone?
You can request a quote for 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone?
Yes, KEHONG BIO provides custom synthesis services for 4-t-Butyl-2'-carboxymethoxy-4'-(3-methyl-2-butenyloxy)chalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.