1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one
TL;DR: 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one (CAS 26457-32-9) is a chemical compound with molecular formula C7H8Cl6O3 and molecular weight 349.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,7,7,7-hexachloro-2,6-dihydroxyheptan-4-one
Also Known As: 1,1,1,7,7,7-hexachloro-2,6-dihydroxyheptan-4-one, 1,1,1,7,7,7-hexachloro-2,6-dihydroxy-4-heptanone, 4-Heptanone,1,1,1,7,7,7-hexachloro-2,6-dihydroxy-, RefChem:212922
| Molecular Formula | C7H8Cl6O3 |
|---|---|
| Molecular Weight | 349.86 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.86047 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 26457-32-9 |
|---|---|
| SMILES | C(C(C(Cl)(Cl)Cl)O)C(=O)CC(C(Cl)(Cl)Cl)O |
| InChIKey | OOHSANVRWZOWHG-UHFFFAOYSA-N |
Product Overview
1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one (CAS 26457-32-9), with molecular formula C7H8Cl6O3 and molecular weight 349.86 g/mol. IUPAC: 1,1,1,7,7,7-hexachloro-2,6-dihydroxyheptan-4-one.
Chemical Property Profile of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one
Property Insights of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one. With a topological polar surface area (TPSA) of 57.5 Ų, 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one has 2 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 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one?
The CAS number of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one is 26457-32-9.
What is the molecular formula of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one?
The molecular formula of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one is C7H8Cl6O3.
What is the molecular weight of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one?
The molecular weight of 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one is 349.86 g/mol.
Where can I buy 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one?
You can request a quote for 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,7,7,7-Hexachloro-2,6-dihydroxyheptan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.