1-Chloro-2,2,4,4-tetramethylpentan-3-one
TL;DR: 1-Chloro-2,2,4,4-tetramethylpentan-3-one (CAS 5425-34-3) is a chemical compound with molecular formula C9H17ClO and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,2,4,4-tetramethylpentan-3-one
Also Known As: 1-chloro-2,2,4,4-tetramethylpentan-3-one, 1-chloro-2,2,4,4-tetramethyl-pentan-3-one, 1-CHLORO-2,4,4-TETRAMETHYL-3-PENTANONE
| Molecular Formula | C9H17ClO |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.09679 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 5425-34-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(C)(C)CCl |
| InChIKey | SAPXPJVZNKJYIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,2,4,4-tetramethylpentan-3-one (CAS 5425-34-3), with molecular formula C9H17ClO and molecular weight 176.10 g/mol. IUPAC: 1-chloro-2,2,4,4-tetramethylpentan-3-one.
Chemical Property Profile of 1-Chloro-2,2,4,4-tetramethylpentan-3-one
Property Insights of 1-Chloro-2,2,4,4-tetramethylpentan-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,2,4,4-tetramethylpentan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-2,2,4,4-tetramethylpentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,2,4,4-tetramethylpentan-3-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 1-Chloro-2,2,4,4-tetramethylpentan-3-one?
The CAS number of 1-Chloro-2,2,4,4-tetramethylpentan-3-one is 5425-34-3.
What is the molecular formula of 1-Chloro-2,2,4,4-tetramethylpentan-3-one?
The molecular formula of 1-Chloro-2,2,4,4-tetramethylpentan-3-one is C9H17ClO.
What is the molecular weight of 1-Chloro-2,2,4,4-tetramethylpentan-3-one?
The molecular weight of 1-Chloro-2,2,4,4-tetramethylpentan-3-one is 176.10 g/mol.
Where can I buy 1-Chloro-2,2,4,4-tetramethylpentan-3-one?
You can request a quote for 1-Chloro-2,2,4,4-tetramethylpentan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,2,4,4-tetramethylpentan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,2,4,4-tetramethylpentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.