CAS RN: 1807988-47-1
IITZ-01
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1807988-47-1
- Purity/Analytical Methods: >99.0%
1807988-47-1 / 4-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
Basic Information
CAS
1807988-47-1
Multi CAS
No
Molecular Formula
C26H23FN8O
Molecular Weight
482.500000
Exact Mass
482.197886
SMILES
C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C26H23FN8O/c27-18-7-11-20(12-8-18)29-25-32-24(33-26(34-25)35-13-15-36-16-14-35)28-19-9-5-17(6-10-19)23-30-21-3-1-2-4-22(21)31-23/h1-12H,13-16H2,(H,30,31)(H2,28,29,32,33,34)
InChIKey
XGEDDGLPNSLBFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
27
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
137.35
TPSA
103.88
LogP / Solubility
WLOGP
4.88
MLOGP
4.33
XLogP3
5.2
Consensus LogP
4.8
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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