RefChem:292998
TL;DR: RefChem:292998 (CAS 101913-86-4) is a chemical compound with molecular formula C21H36F12N2O3 and molecular weight 592.25 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-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;bis(triethylazanium)
Also Known As: 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt, 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate; triethylazanium, 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;triethylazanium, 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate,triethylazanium, 4-HEPTANONE, 2,6-BIS(TRIFLUOROMETHYL)-2,6-DIHYDROXY-1,1,1,7,7,7-HEXAFLUORO-, BIS
| Molecular Formula | C21H36F12N2O3 |
|---|---|
| Molecular Weight | 592.25 g/mol |
| LogP | 1.65 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 592.2534 |
| Heavy Atoms | 38 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 101913-86-4 |
|---|---|
| SMILES | CC[NH+](CC)CC.CC[NH+](CC)CC.C(C(=O)CC(C(F)(F)F)(C(F)(F)F)[O-])C(C(F)(F)F)(C(F)(F)F)[O-] |
| InChIKey | NQLSKSUBOBVYGL-UHFFFAOYSA-P |
Product Overview
RefChem:292998 (CAS 101913-86-4), with molecular formula C21H36F12N2O3 and molecular weight 592.25 g/mol. IUPAC: 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;bis(triethylazanium).
Chemical Property Profile of RefChem:292998
Property Insights of RefChem:292998
The XLogP value of 1.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:292998. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:292998. Following Lipinski's Rule of Five, RefChem:292998 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:292998?
The CAS number of RefChem:292998 is 101913-86-4.
What is the molecular formula of RefChem:292998?
The molecular formula of RefChem:292998 is C21H36F12N2O3.
What is the molecular weight of RefChem:292998?
The molecular weight of RefChem:292998 is 592.25 g/mol.
Where can I buy RefChem:292998?
You can request a quote for RefChem:292998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:292998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:292998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.