CAS RN: 1047953-91-2
5′-D(ATGAAAATCAGGGTTAGG)-3′, SODIUM SALT
Product Availability
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9 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 10mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260319 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250516 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250605 | 1g | Out of stock | Inquiry | |
| Batchno.20250213 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251002 | 250mg | Out of stock | Inquiry | |
| Batchno.20260612 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250129 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250113 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1047953-91-2
- Purity/Analytical Methods: >99.0%
1047953-91-2 / 2-chloro-N-[4-[5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]phenyl]acetamide
MI 2 MALT1 inhibitor | MI-2 (MALT1 inhibitor) | 2-Chloro-N-(4-(5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl)phenyl)acetamide
Basic Information
CAS
1047953-91-2
Multi CAS
No
Molecular Formula
C19H17Cl3N4O3
Molecular Weight
455.700000
Exact Mass
454.036623
SMILES
COCCOC1=NN(C(=N1)C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C19H17Cl3N4O3/c1-28-8-9-29-19-24-18(12-2-7-15(21)16(22)10-12)26(25-19)14-5-3-13(4-6-14)23-17(27)11-20/h2-7,10H,8-9,11H2,1H3,(H,23,27)
InChIKey
TWJGQZBSEMDPQP-UHFFFAOYSA-N
Synonyms
MI 2 MALT1 inhibitor
MI-2 (MALT1 inhibitor)
2-Chloro-N-(4-(5-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl)phenyl)acetamide
mi 2
MALT1 inhibitor MI-2
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
113.54
TPSA
78.27
LogP / Solubility
WLOGP
4.44
MLOGP
3.94
XLogP3
4.5
Consensus LogP
4.29
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.34
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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