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CAS 696600-68-7 PMMPPF6 molecular structure lightbox
CAS RN: 696600-68-7

PMMPPF6

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Batchno.20260307 500g Out of stock Inquiry
  • Product code: starshine_CAS696600-68-7
  • Purity/Analytical Methods: >99.0%
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696600-68-7 / 4-methyl-4-propylmorpholin-4-ium hexafluorophosphate

Standard CAS: 696600-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
696600-68-7
Multi CAS
No
Molecular Formula
C8F6H18NOP
Molecular Weight
289.200000
Exact Mass
289.103020
InChI
InChI=1S/C8H18NO.F6P/c1-3-4-9(2)5-7-10-8-6-9;1-7(2,3,4,5)6/h3-8H2,1-2H3;/q+1;-1
InChIKey
RRMNDWSWWKNEDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
55.46
TPSA
9.23

LogP / Solubility

WLOGP
4.26
MLOGP
3.76
XLogP3
4.26
Consensus LogP
4.09
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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