5,5,5-Trichloro-4-oxopentanoic acid
TL;DR: 5,5,5-Trichloro-4-oxopentanoic acid (CAS 7605-64-3) is a chemical compound with molecular formula C5H5Cl3O3 and molecular weight 217.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trichloro-4-oxopentanoic acid
Also Known As: 5,5,5-Trichloro-4-oxopentanoic acid, NCIOpen2_003625, 3-trichloro-acetyl propionic acid, pentanoic acid, 5,5,5-trichloro-4-oxo-, 5,5,5-trichloro-4-oxo-pentanoic acid
| Molecular Formula | C5H5Cl3O3 |
|---|---|
| Molecular Weight | 217.93 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.93042 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 7605-64-3 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)C(Cl)(Cl)Cl |
| InChIKey | CQKIKRVNPZYPRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5,5-Trichloro-4-oxopentanoic acid (CAS 7605-64-3), with molecular formula C5H5Cl3O3 and molecular weight 217.93 g/mol. IUPAC: 5,5,5-trichloro-4-oxopentanoic acid.
Chemical Property Profile of 5,5,5-Trichloro-4-oxopentanoic acid
Property Insights of 5,5,5-Trichloro-4-oxopentanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5,5-Trichloro-4-oxopentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5,5,5-Trichloro-4-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,5-Trichloro-4-oxopentanoic acid has 1 hydrogen bond donor(s) and 3 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 5,5,5-Trichloro-4-oxopentanoic acid?
The CAS number of 5,5,5-Trichloro-4-oxopentanoic acid is 7605-64-3.
What is the molecular formula of 5,5,5-Trichloro-4-oxopentanoic acid?
The molecular formula of 5,5,5-Trichloro-4-oxopentanoic acid is C5H5Cl3O3.
What is the molecular weight of 5,5,5-Trichloro-4-oxopentanoic acid?
The molecular weight of 5,5,5-Trichloro-4-oxopentanoic acid is 217.93 g/mol.
Where can I buy 5,5,5-Trichloro-4-oxopentanoic acid?
You can request a quote for 5,5,5-Trichloro-4-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,5-Trichloro-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5,5-Trichloro-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.