4',5,5-Trichloro-2,4-pentadienophenone
TL;DR: 4',5,5-Trichloro-2,4-pentadienophenone (CAS 91059-29-9) is a chemical compound with molecular formula C11H7Cl3O and molecular weight 259.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dichloro-1-(4-chlorophenyl)penta-2,4-dien-1-one
Also Known As: 4',5,5-trichloro-2,4-pentadienophenone, 5,5-dichloro-1-(4-chlorophenyl)-penta-2,4-dien-1-one, 5,5-dichloro-1-(4-chlorophenyl)penta-2,4-dien-1-one
| Molecular Formula | C11H7Cl3O |
|---|---|
| Molecular Weight | 259.96 g/mol |
| LogP | 4.3979 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.95624 |
| Heavy Atoms | 15 |
| Complexity | 400.34613 |
Chemical Identifiers
| CAS Number | 91059-29-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CC=C(Cl)Cl)Cl |
Product Overview
4',5,5-Trichloro-2,4-pentadienophenone (CAS 91059-29-9), with molecular formula C11H7Cl3O and molecular weight 259.96 g/mol. IUPAC: 5,5-dichloro-1-(4-chlorophenyl)penta-2,4-dien-1-one.
Chemical Property Profile of 4',5,5-Trichloro-2,4-pentadienophenone
Property Insights of 4',5,5-Trichloro-2,4-pentadienophenone
The XLogP value of 4.3979 indicates that 4',5,5-Trichloro-2,4-pentadienophenone 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',5,5-Trichloro-2,4-pentadienophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',5,5-Trichloro-2,4-pentadienophenone 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',5,5-Trichloro-2,4-pentadienophenone?
The CAS number of 4',5,5-Trichloro-2,4-pentadienophenone is 91059-29-9.
What is the molecular formula of 4',5,5-Trichloro-2,4-pentadienophenone?
The molecular formula of 4',5,5-Trichloro-2,4-pentadienophenone is C11H7Cl3O.
What is the molecular weight of 4',5,5-Trichloro-2,4-pentadienophenone?
The molecular weight of 4',5,5-Trichloro-2,4-pentadienophenone is 259.96 g/mol.
Where can I buy 4',5,5-Trichloro-2,4-pentadienophenone?
You can request a quote for 4',5,5-Trichloro-2,4-pentadienophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5,5-Trichloro-2,4-pentadienophenone?
Yes, KEHONG BIO provides custom synthesis services for 4',5,5-Trichloro-2,4-pentadienophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.