CAS RN: 14205-46-0
Isopropyl 3-Aminocrotonate
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.20250112 | 10g / 50g / 250g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-052736
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: 5g, 10g, 25g, 100g
- Available purity: >97%
- 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.
14205-46-0 / propan-2-yl (Z)-3-aminobut-2-enoate
Basic Information
CAS
14205-46-0
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CC(C)OC(=O)/C=C(/C)\N
InChI
InChI=1S/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3/b6-4-
InChIKey
YCKAGGHNUHZKCL-XQRVVYSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.17
TPSA
52.32
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
1.4
Consensus LogP
0.97
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.03
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
