(3E)-5,5,5-Trichloro-3-penten-2-one
TL;DR: (3E)-5,5,5-Trichloro-3-penten-2-one (CAS 1552-26-7) is a chemical compound with molecular formula C5H5Cl3O and molecular weight 185.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5,5,5-trichloropent-3-en-2-one
Also Known As: (3E)-5,5,5-Trichloro-3-penten-2-one, 5,5,5-trichloropent-3-en-2-one, 5,5,5-Trichloro-3-pentene-2-one, 5,5,5-trichloro-pent-3-en-2-one, 3-Penten-2-one, 5,5,5-trichloro-
| Molecular Formula | C5H5Cl3O |
|---|---|
| Molecular Weight | 185.94 g/mol |
| LogP | 2.5018 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.9406 |
| Heavy Atoms | 9 |
| Complexity | 133.62875 |
Chemical Identifiers
| CAS Number | 1552-26-7 |
|---|---|
| SMILES | CC(=O)/C=C/C(Cl)(Cl)Cl |
Product Overview
(3E)-5,5,5-Trichloro-3-penten-2-one (CAS 1552-26-7), with molecular formula C5H5Cl3O and molecular weight 185.94 g/mol. IUPAC: (E)-5,5,5-trichloropent-3-en-2-one.
Chemical Property Profile of (3E)-5,5,5-Trichloro-3-penten-2-one
Property Insights of (3E)-5,5,5-Trichloro-3-penten-2-one
The XLogP value of 2.5018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-5,5,5-Trichloro-3-penten-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (3E)-5,5,5-Trichloro-3-penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-5,5,5-Trichloro-3-penten-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 (3E)-5,5,5-Trichloro-3-penten-2-one?
The CAS number of (3E)-5,5,5-Trichloro-3-penten-2-one is 1552-26-7.
What is the molecular formula of (3E)-5,5,5-Trichloro-3-penten-2-one?
The molecular formula of (3E)-5,5,5-Trichloro-3-penten-2-one is C5H5Cl3O.
What is the molecular weight of (3E)-5,5,5-Trichloro-3-penten-2-one?
The molecular weight of (3E)-5,5,5-Trichloro-3-penten-2-one is 185.94 g/mol.
Where can I buy (3E)-5,5,5-Trichloro-3-penten-2-one?
You can request a quote for (3E)-5,5,5-Trichloro-3-penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-5,5,5-Trichloro-3-penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-5,5,5-Trichloro-3-penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.