CAS RN: 190447-69-9
BOC-DAB-OTBU HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-089183
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 | Beijing | Inquiry |
190447-69-9 / tert-butyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
190447-69-9
Multi CAS
No
Molecular Formula
C13H26N2O4
Molecular Weight
274.360000
Exact Mass
274.189257
SMILES
CC(C)(C)OC(=O)[C@H](CCN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O4/c1-12(2,3)18-10(16)9(7-8-14)15-11(17)19-13(4,5)6/h9H,7-8,14H2,1-6H3,(H,15,17)/t9-/m0/s1
InChIKey
VTAQKRDOQHUEKC-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.67
TPSA
90.65
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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