(E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one
TL;DR: (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one (CAS 926890-59-7) is a chemical compound with molecular formula C11H9Cl3O and molecular weight 261.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one
Also Known As: Ho, HpNBHRHrHrJPiSQIX{jfX@HAAP, 4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one, 4,4,4-trichloro-1-(4-tolyl)but-2-en-1-one, J2.416.171D
| Molecular Formula | C11H9Cl3O |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 4.10412 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.9719 |
| Heavy Atoms | 15 |
| Complexity | 373.81467 |
Chemical Identifiers
| CAS Number | 926890-59-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)/C=C/C(Cl)(Cl)Cl |
Product Overview
(E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one (CAS 926890-59-7), with molecular formula C11H9Cl3O and molecular weight 261.97 g/mol. IUPAC: (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one.
Chemical Property Profile of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one
Property Insights of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one
The XLogP value of 4.10412 indicates that (E)-4,4,4-trichloro-1-(4-methylphenyl)but-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 17.07 Ų, (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-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 (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one?
The CAS number of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one is 926890-59-7.
What is the molecular formula of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one?
The molecular formula of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one is C11H9Cl3O.
What is the molecular weight of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one?
The molecular weight of (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one is 261.97 g/mol.
Where can I buy (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one?
You can request a quote for (E)-4,4,4-trichloro-1-(4-methylphenyl)but-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 (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,4,4-trichloro-1-(4-methylphenyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.