CAS RN: 888220-71-1
4-(tert-Butoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-200548
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 |
888220-71-1 / 4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxopiperazine-2-carboxylic acid
Basic Information
CAS
888220-71-1
Multi CAS
No
Molecular Formula
C10H16N2O5
Molecular Weight
244.240000
Exact Mass
244.105922
InChI
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-4-6(8(14)15)11-7(13)5-12/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKey
OLXJXLAQYMROED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.37
TPSA
95.94
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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