![CAS 475111-38-7 4-(4-CHLORO-6-(2-(DIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YL)MORPHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/475111-38-7.gif)
CAS RN: 475111-38-7
4-(4-CHLORO-6-(2-(DIFLUOROMETHYL)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YL)MORPHOLINE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-154489
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
475111-38-7 / 4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
Basic Information
CAS
475111-38-7
Multi CAS
No
Molecular Formula
C15H13CLF2N6O
Molecular Weight
366.750000
Exact Mass
366.080743
InChI
InChI=1S/C15H13ClF2N6O/c16-13-20-14(23-5-7-25-8-6-23)22-15(21-13)24-10-4-2-1-3-9(10)19-12(24)11(17)18/h1-4,11H,5-8H2
InChIKey
AJQZNMCGFMDKGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
87.45
TPSA
68.96
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
3.2
Consensus LogP
2.73
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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