RefChem:292991
TL;DR: RefChem:292991 (CAS 101913-94-4) is a chemical compound with molecular formula C9H6Cl6F6O3 and molecular weight 485.83524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,7,7-tetrachloro-2,6-bis[chloro(difluoro)methyl]-1,7-difluoro-2,6-dihydroxyheptan-4-one
Also Known As: 1,7-Difluoro-1,1,7,7-tetrafluoro-2,6-dihydroxy-2,6-bis(chlorodifluoromethyl)-4-heptanone, 4-Heptanone, 1,7-difluoro-1,1,7,7-tetrachloro-2,6-dihydroxy-2,6-(chlorodifluoromethyl)-, 1,1,7,7-tetrachloro-2,6-bis[chloro(difluoro)methyl]-1,7-difluoro-2,6-dihydroxyheptan-4-one, 1,1,7,7-tetrachloro-2,6-bis(chlorodifluoromethyl)-1,7-difluoro-2,6-dihydroxyheptan-4-one, 1,7-Dichloro-1,1,7,7-tetrafluoro-2,6-bis(dichlorofluoromethyl)-2,6-dihydroxy-4-heptanone
Technical Specifications
| Molecular Formula | C9H6Cl6F6O3 |
| Molecular Weight | 485.83524 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.83228 Da |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
| SMILES | C(C(=O)CC(C(F)(F)Cl)(C(F)(Cl)Cl)O)C(C(F)(F)Cl)(C(F)(Cl)Cl)O |
| InChIKey | FDJJAEFMAYVZRV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:292991
Property Insights of RefChem:292991
The XLogP value of 4.1 indicates that RefChem:292991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, RefChem:292991 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:292991 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:292991?
The CAS number of RefChem:292991 is 101913-94-4.
What is the molecular formula of RefChem:292991?
The molecular formula of RefChem:292991 is C9H6Cl6F6O3.
What is the molecular weight of RefChem:292991?
The molecular weight of RefChem:292991 is 485.83524 g/mol.
Where can I buy RefChem:292991?
You can request a quote for RefChem:292991 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:292991?
Yes, CoreyChem provides custom synthesis services for RefChem:292991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.