CAS RN: 1811510-58-3
MAP4K4-IN-17
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.20260524 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1811510-58-3
- Purity/Analytical Methods: >99.0%
1811510-58-3 / 5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]pyrimidin-2-amine
Basic Information
CAS
1811510-58-3
Multi CAS
No
Molecular Formula
C15H12ClN5
Molecular Weight
297.740000
Exact Mass
297.078123
SMILES
C1=CC(=CC=C1C2=C(N=CC(=C2)C3=CN=C(N=C3)N)N)Cl
InChI
InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)
InChIKey
KSQDIECZAQKQQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.53
TPSA
90.71
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.3
Consensus LogP
2.66
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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