CAS RN: 227449-73-2
Syk Inhibitor II
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS227449-73-2
- Purity/Analytical Methods: >99.0%
227449-73-2 / 2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;hydrochloride
Basic Information
CAS
227449-73-2
Multi CAS
No
Molecular Formula
C14H16ClF3N6O
Molecular Weight
376.760000
Exact Mass
376.102621
SMILES
C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(F)(F)F.Cl
InChI
InChI=1S/C14H15F3N6O.2ClH/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18;;/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23);2*1H
InChIKey
OWOVYLSSMDVDIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.07
TPSA
118.95
LogP / Solubility
WLOGP
2.13
MLOGP
1.9
XLogP3
2.13
Consensus LogP
2.05
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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