CAS RN: 21282-08-6
PYR-ALA-OH
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.20260421 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-101670
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 |
21282-08-6 / (2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
Basic Information
CAS
21282-08-6
Multi CAS
No
Molecular Formula
C8H12N2O4
Molecular Weight
200.190000
Exact Mass
200.079707
SMILES
C[C@@H](C(=O)O)NC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5-/m0/s1
InChIKey
YIJVJUARZXCJJP-WHFBIAKZSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.41
TPSA
95.5
LogP / Solubility
WLOGP
-1.15
MLOGP
-1.01
XLogP3
-1
Consensus LogP
-1.05
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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