CAS RN: 2183470-12-2
GCN2iB
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250101 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260221 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260102 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250414 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250709 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2183470-12-2
- Purity/Analytical Methods: >99.0%
2183470-12-2 / N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
Basic Information
CAS
2183470-12-2
Multi CAS
No
Molecular Formula
C18H12ClF2N5O3S
Molecular Weight
451.800000
Exact Mass
451.031745
SMILES
COC1=C(C=C(C=N1)Cl)S(=O)(=O)NC2=C(C(=C(C=C2)F)C#CC3=CN=C(N=C3)N)F
InChI
InChI=1S/C18H12ClF2N5O3S/c1-29-17-15(6-11(19)9-23-17)30(27,28)26-14-5-4-13(20)12(16(14)21)3-2-10-7-24-18(22)25-8-10/h4-9,26H,1H3,(H2,22,24,25)
InChIKey
JGHVXJKGYJYWOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
105.39
TPSA
120.09
LogP / Solubility
WLOGP
2.59
MLOGP
2.31
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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
Yes
Log Kp (skin permeation)
-3.63
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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