CAS RN: 2319790-02-6
SSD114 hydrochloride
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2319790-02-6
- Purity/Analytical Methods: >99.0%
2319790-02-6 / N-cyclohexyl-4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
Basic Information
CAS
2319790-02-6
Multi CAS
No
Molecular Formula
C18H21ClF3N3O
Molecular Weight
387.800000
Exact Mass
387.132525
SMILES
COC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)NC3CCCCC3.Cl
InChI
InChI=1S/C18H20F3N3O.ClH/c1-25-16-11-15(12-7-9-13(10-8-12)18(19,20)21)23-17(24-16)22-14-5-3-2-4-6-14;/h7-11,14H,2-6H2,1H3,(H,22,23,24);1H
InChIKey
YXQSTPASDICGCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.77
TPSA
47.04
LogP / Solubility
WLOGP
5.34
MLOGP
4.72
XLogP3
5.34
Consensus LogP
5.13
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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