CAS RN: 1426821-11-5
BOC-OxyMa Ethyl 2-(tert-ButoxycarbonyloxyiMino)-2-cyanoacetate
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.20260629 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-053486
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: 25g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1426821-11-5 / ethyl (2E)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonyloxyimino]acetate
Basic Information
CAS
1426821-11-5
Multi CAS
No
Molecular Formula
C10H14N2O5
Molecular Weight
242.230000
Exact Mass
242.090272
SMILES
CCOC(=O)/C(=N/OC(=O)OC(C)(C)C)/C#N
InChI
InChI=1S/C10H14N2O5/c1-5-15-8(13)7(6-11)12-17-9(14)16-10(2,3)4/h5H2,1-4H3/b12-7+
InChIKey
GTIPXWMOYWXFBG-KPKJPENVSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
57
TPSA
97.98
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
2.3
Consensus LogP
1.63
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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