4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one
TL;DR: 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one (CAS 35965-39-0) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-one
Also Known As: EINECS 222-481-8, 4-(4-isopropylphenyl)-3-methylbut-3-en-2-one, 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one, 4-[4-(ISOPROPYL)PHENYL]-3-METHYLBUT-3-EN-2-ONE, 3-methyl-4-[4-(propan-2-yl)phenyl]but-3-en-2-one
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.8023 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 368.8301 |
Chemical Identifiers
| CAS Number | 35965-39-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C(\C)/C(=O)C |
Product Overview
4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one (CAS 35965-39-0), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: (E)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-one.
Chemical Property Profile of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one
Property Insights of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one
The XLogP value of 3.8023 indicates that 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one has 0 hydrogen bond donor(s) and 1 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 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one?
The CAS number of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one is 35965-39-0.
What is the molecular formula of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one?
The molecular formula of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one is C14H18O.
What is the molecular weight of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one?
The molecular weight of 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one is 202.14 g/mol.
Where can I buy 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one?
You can request a quote for 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Isopropyl)phenyl)-3-methylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.