CAS RN: 1092365-58-6
Afatinib Impurity 56
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.20250825 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-010423
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 | Shenzhen | Inquiry |
1092365-58-6 / (Z)-4-(dimethylamino)but-2-enoic acid
2-Butenoic acid, 4-(dimethylamino)-, (2E)- | 2-Butenoic acid, 4-(dimethylamino)-, (E)- | EYX5TY62KX
Basic Information
CAS
1092365-58-6
Multi CAS
Yes
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
CN(C)C/C=C\C(=O)O
InChI
InChI=1S/C6H11NO2/c1-7(2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9)/b4-3-
InChIKey
ITGIYLMMAABTHC-ARJAWSKDSA-N
Synonyms
2-Butenoic acid, 4-(dimethylamino)-, (2E)-
2-Butenoic acid, 4-(dimethylamino)-, (E)-
EYX5TY62KX
(2e)-4-(dimethylamino)-2-butenoic acid
RefChem:196433
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.33
TPSA
40.54
LogP / Solubility
WLOGP
0.19
MLOGP
0.16
XLogP3
-2.2
Consensus LogP
-0.62
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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