RefChem:1070701
TL;DR: RefChem:1070701 (CAS 101952-35-6) is a chemical compound with molecular formula C11H8F12O4 and molecular weight 432.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl] acetate
Also Known As: 1,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl acetate, 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, 2-acetate, 1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone, 2-acetate ester, 4-Heptanone,1,1,7,7,7-hexafluoro-6-hydroxy-2,6-bis(trifluoromethyl)-, [1,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl] acetate
| Molecular Formula | C11H8F12O4 |
|---|---|
| Molecular Weight | 432.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.0231 |
| Heavy Atoms | 27 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 101952-35-6 |
|---|---|
| SMILES | CC(=O)OC(CC(=O)CC(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F |
| InChIKey | GXWCKSWSEYVETB-UHFFFAOYSA-N |
Product Overview
RefChem:1070701 (CAS 101952-35-6), with molecular formula C11H8F12O4 and molecular weight 432.02 g/mol. IUPAC: [1,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl] acetate.
Chemical Property Profile of RefChem:1070701
Property Insights of RefChem:1070701
The XLogP value of 3.2 indicates that RefChem:1070701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1070701. Following Lipinski's Rule of Five, RefChem:1070701 has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1070701?
The CAS number of RefChem:1070701 is 101952-35-6.
What is the molecular formula of RefChem:1070701?
The molecular formula of RefChem:1070701 is C11H8F12O4.
What is the molecular weight of RefChem:1070701?
The molecular weight of RefChem:1070701 is 432.02 g/mol.
Where can I buy RefChem:1070701?
You can request a quote for RefChem:1070701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1070701?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1070701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.