CAS RN: 199596-24-2
JIB-04 (NSC 693627) -Z
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.20251023 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS199596-24-2
- Purity/Analytical Methods: >99.0%
199596-24-2 / 5-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
Basic Information
CAS
199596-24-2
Multi CAS
No
Molecular Formula
C17H13ClN4
Molecular Weight
308.800000
Exact Mass
308.082874
SMILES
C1=CC=C(C=C1)/C(=N/NC2=NC=C(C=C2)Cl)/C3=CC=CC=N3
InChI
InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17-
InChIKey
YHHFKWKMXWRVTJ-XLNRJJMWSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.19
TPSA
50.17
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
4.6
Consensus LogP
4.04
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.77
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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- Purity/Analytical method: >99.0%
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