3-Penten-2-one, 5,5,5-trichloro-
TL;DR: 3-Penten-2-one, 5,5,5-trichloro- (CAS 18402-89-6) 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.
5,5,5-trichloropent-3-en-2-one
Also Known As: Trichloraethylidenaceton, Trichloraethyliden-aceton, 5,5,5-trichloropent-3-en-2-one, 3-Penten-2-one, 5,5,5-trichloro-, 3-Penten-2-one, 5,5,5-trichloro-, (3E)-
| Molecular Formula | C5H5Cl3O |
|---|---|
| Molecular Weight | 185.94 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.9406 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 18402-89-6 |
|---|---|
| SMILES | CC(=O)C=CC(Cl)(Cl)Cl |
| InChIKey | WYTWCHDMETZZSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Penten-2-one, 5,5,5-trichloro- (CAS 18402-89-6), with molecular formula C5H5Cl3O and molecular weight 185.94 g/mol. IUPAC: 5,5,5-trichloropent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 5,5,5-trichloro-
Property Insights of 3-Penten-2-one, 5,5,5-trichloro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Penten-2-one, 5,5,5-trichloro-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Penten-2-one, 5,5,5-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 5,5,5-trichloro- 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-Penten-2-one, 5,5,5-trichloro-?
The CAS number of 3-Penten-2-one, 5,5,5-trichloro- is 18402-89-6.
What is the molecular formula of 3-Penten-2-one, 5,5,5-trichloro-?
The molecular formula of 3-Penten-2-one, 5,5,5-trichloro- is C5H5Cl3O.
What is the molecular weight of 3-Penten-2-one, 5,5,5-trichloro-?
The molecular weight of 3-Penten-2-one, 5,5,5-trichloro- is 185.94 g/mol.
Where can I buy 3-Penten-2-one, 5,5,5-trichloro-?
You can request a quote for 3-Penten-2-one, 5,5,5-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 5,5,5-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 5,5,5-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.