CAS RN: 1781934-50-6
AR-C102222 hydrochloride
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.20250126 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1781934-50-6
- Purity/Analytical Methods: >99.0%
1781934-50-6 / 5-(4-amino-5,8-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile;hydrochloride
Basic Information
CAS
1781934-50-6
Multi CAS
No
Molecular Formula
C19H17ClF2N6O
Molecular Weight
418.800000
Exact Mass
418.112043
SMILES
C1CN(CCC12NC3=C(C=CC(=C3C(=N2)N)F)F)C(=O)C4=CN=C(C=C4)C#N.Cl
InChI
InChI=1S/C19H16F2N6O.ClH/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11;/h1-4,10,25H,5-8H2,(H2,23,26);1H
InChIKey
FJFMOBYDHGJDGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.77
TPSA
107.4
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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