3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-
TL;DR: 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- (CAS 515159-59-8) 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.
3,4,4-trichloro-1-(4-methylphenyl)but-3-en-1-one
Also Known As: Cyclobutyl 2-pyridyl ketone, 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-, 3,4,4-trichloro-1-(4-methylphenyl)but-3-en-1-one, 1-(4-methylphenyl)-3,4-trichloro-but-3-en-1-one, 1-(4-methylphenyl)-3,4,4-trichloro-3-buten-1-one
| Molecular Formula | C11H9Cl3O |
|---|---|
| Molecular Weight | 261.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9719 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 515159-59-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl |
| InChIKey | ZOZDGQZLQYLOMU-UHFFFAOYSA-N |
Product Overview
3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- (CAS 515159-59-8), with molecular formula C11H9Cl3O and molecular weight 261.97 g/mol. IUPAC: 3,4,4-trichloro-1-(4-methylphenyl)but-3-en-1-one.
Chemical Property Profile of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-
Property Insights of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-
The XLogP value of 4.2 indicates that 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- 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 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-?
The CAS number of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- is 515159-59-8.
What is the molecular formula of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-?
The molecular formula of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- is C11H9Cl3O.
What is the molecular weight of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-?
The molecular weight of 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- is 261.97 g/mol.
Where can I buy 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-?
You can request a quote for 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.