1-Chloro-2-ketohexanol-6-phosphate
TL;DR: 1-Chloro-2-ketohexanol-6-phosphate (CAS 80582-77-0) is a chemical compound with molecular formula C6H12ClO5P and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-5-oxohexyl) dihydrogen phosphate
Also Known As: 1-Ckhp, 1-Chloro-2-ketohexanol-6-phosphate, 1-Chloro-2-oxohexanol-6-phosphate, 6-chloro-5-oxohexyl dihydrogen phosphate, 2-Hexanone,1-chloro-6-(phosphonooxy)-
| Molecular Formula | C6H12ClO5P |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.0111 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 80582-77-0 |
|---|---|
| SMILES | C(CCOP(=O)(O)O)CC(=O)CCl |
| InChIKey | MRVPURQSDAPZES-UHFFFAOYSA-N |
Product Overview
1-Chloro-2-ketohexanol-6-phosphate (CAS 80582-77-0), with molecular formula C6H12ClO5P and molecular weight 230.01 g/mol. IUPAC: (6-chloro-5-oxohexyl) dihydrogen phosphate.
Chemical Property Profile of 1-Chloro-2-ketohexanol-6-phosphate
Property Insights of 1-Chloro-2-ketohexanol-6-phosphate
The XLogP value of -0.6 indicates that 1-Chloro-2-ketohexanol-6-phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-2-ketohexanol-6-phosphate. Following Lipinski's Rule of Five, 1-Chloro-2-ketohexanol-6-phosphate has 2 hydrogen bond donor(s) and 5 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-ketohexanol-6-phosphate?
The CAS number of 1-Chloro-2-ketohexanol-6-phosphate is 80582-77-0.
What is the molecular formula of 1-Chloro-2-ketohexanol-6-phosphate?
The molecular formula of 1-Chloro-2-ketohexanol-6-phosphate is C6H12ClO5P.
What is the molecular weight of 1-Chloro-2-ketohexanol-6-phosphate?
The molecular weight of 1-Chloro-2-ketohexanol-6-phosphate is 230.01 g/mol.
Where can I buy 1-Chloro-2-ketohexanol-6-phosphate?
You can request a quote for 1-Chloro-2-ketohexanol-6-phosphate 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-ketohexanol-6-phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-ketohexanol-6-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.