CAS RN: 384347-59-5
EMMPBF4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250507 | 500g | Out of stock | Inquiry |
- Product code: starshine_CAS384347-59-5
- Purity/Analytical Methods: >99.0%
384347-59-5 / 4-butyl-4-methylmorpholin-4-ium tetrafluoroborate
Basic Information
CAS
384347-59-5
Multi CAS
No
Molecular Formula
BC9F4H20NO
Molecular Weight
245.070000
Exact Mass
245.157407
InChI
InChI=1S/C9H20NO.BF4/c1-3-4-5-10(2)6-8-11-9-7-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKey
KXROYUROTGMSEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
56.7
TPSA
9.23
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.56
Consensus LogP
2.46
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
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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