CAS RN: 2047348-50-3
3-Morpholino-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260221 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: ICTM3222
- Purity/Analytical Methods: >98.0%(GC)
2047348-50-3 / (3-morpholin-4-yl-2-trimethylsilylphenyl) trifluoromethanesulfonate
Basic Information
CAS
2047348-50-3
Multi CAS
No
Molecular Formula
C14H20F3NO4SSi
Molecular Weight
383.460000
Exact Mass
383.083440
SMILES
C[Si](C)(C)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)N2CCOCC2
InChI
InChI=1S/C14H20F3NO4SSi/c1-24(2,3)13-11(18-7-9-21-10-8-18)5-4-6-12(13)22-23(19,20)14(15,16)17/h4-6H,7-10H2,1-3H3
InChIKey
IUGQKBYYIRRAJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
88.06
TPSA
55.84
LogP / Solubility
WLOGP
2.3
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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