CAS RN: 15599-91-4
Hexafluorocyclotriphosphazene
Product Availability
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4 package records4 with current stock1 grade group
- Product code: ICTH1429
- Purity/Analytical Methods: >97.0%(GC)
15599-91-4 / 2,2,4,4,6,6-hexafluoro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Basic Information
CAS
15599-91-4
Multi CAS
No
Molecular Formula
F6N3P3
Molecular Weight
248.932000
Exact Mass
248.920927
SMILES
N1=P(N=P(N=P1(F)F)(F)F)(F)F
InChI
InChI=1S/F6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
InChIKey
DKQPXAWBVGCNHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
H-bond acceptors
3
Molar refractivity
34.69
TPSA
37.08
LogP / Solubility
WLOGP
5.66
MLOGP
4.98
XLogP3
3.8
Consensus LogP
4.81
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
