3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione
TL;DR: 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione (CAS 5934-80-5) is a chemical compound with molecular formula C7H9Cl3O3 and molecular weight 245.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2,2-trichloro-1-hydroxyethyl)pentane-2,4-dione
Also Known As: 3-(2,2,2-trichloro-1-hydroxyethyl)pentane-2,4-dione, 1-Naphthalenesulfonyl chloride,6-acetyl-8-methoxy, 2,4-Pentanedione, 3-(2,2,2-trichloro-1-hydroxyethyl)-
| Molecular Formula | C7H9Cl3O3 |
|---|---|
| Molecular Weight | 245.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.96173 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5934-80-5 |
|---|---|
| SMILES | CC(=O)C(C(C(Cl)(Cl)Cl)O)C(=O)C |
| InChIKey | PGMPFGZMJVBFRG-UHFFFAOYSA-N |
Product Overview
3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione (CAS 5934-80-5), with molecular formula C7H9Cl3O3 and molecular weight 245.96 g/mol. IUPAC: 3-(2,2,2-trichloro-1-hydroxyethyl)pentane-2,4-dione.
Chemical Property Profile of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione
Property Insights of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione 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 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione?
The CAS number of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione is 5934-80-5.
What is the molecular formula of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione?
The molecular formula of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione is C7H9Cl3O3.
What is the molecular weight of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione?
The molecular weight of 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione is 245.96 g/mol.
Where can I buy 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione?
You can request a quote for 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2,2-Trichloro-1-hydroxyethyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.