CAS RN: 186817-57-2
HEXAKIS(2,2-DIFLUOROETHOXY)PHOSPHAZENE
Product Availability
Available package options are listed below.
3 package records1 with current stock
- Product code: starshine_CAS186817-57-2
- Purity/Analytical Methods: >99.0%
186817-57-2 / 2,2,4,4,6,6-hexakis(2,2-difluoroethoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Basic Information
CAS
186817-57-2
Multi CAS
No
Molecular Formula
C12H18F12N3O6P3
Molecular Weight
621.190000
Exact Mass
621.021684
SMILES
C(C(F)F)OP1(=NP(=NP(=N1)(OCC(F)F)OCC(F)F)(OCC(F)F)OCC(F)F)OCC(F)F
InChI
InChI=1S/C12H18F12N3O6P3/c13-7(14)1-28-34(29-2-8(15)16)25-35(30-3-9(17)18,31-4-10(19)20)27-36(26-34,32-5-11(21)22)33-6-12(23)24/h7-12H,1-6H2
InChIKey
ZENPVEFDWIHAJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
9
Molar refractivity
99.78
TPSA
92.46
LogP / Solubility
WLOGP
7.53
MLOGP
6.68
XLogP3
6
Consensus LogP
6.74
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-10.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
2-PIPERIDINOETHYL 4-AMINO-5-CHLORO-2-METHOXYBENZOATE
- CAS RN: 186826-17-5
- Product Code: starshine_CAS186826-17-5
- Purity/Analytical method: >99.0%
-
-
2-(Bromodifluoromethyl)-1,3-benzoxazole
- CAS RN: 186828-50-2
- Product Code: starshine_CAS186828-50-2
- Purity/Analytical method: >99.0%
-
FMOC-CYS(XAN)-OH
- CAS RN: 186829-25-4
- Product Code: starshine_CAS186829-25-4
- Purity/Analytical method: >99.0%
-
2,4-DIAMINO-6-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,5-TRIAZINE
- CAS RN: 186834-97-9
- Product Code: starshine_CAS186834-97-9
- Purity/Analytical method: >99.0%
-
2B-(SP)
- CAS RN: 186901-17-7
- Product Code: starshine_CAS186901-17-7
- Purity/Analytical method: >99.0%
![CAS 186834-97-9 2,4-DIAMINO-6-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,5-TRIAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186834-97-9.gif)
