CAS RN: 1228312-13-7
(R)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)Malonic acid
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.20260601 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-026373
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 | Shenzhen | Inquiry |
1228312-13-7 / 2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanedioic acid
Basic Information
CAS
1228312-13-7
Multi CAS
No
Molecular Formula
C12H19NO6
Molecular Weight
273.280000
Exact Mass
273.121237
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)C(C(=O)O)C(=O)O
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-5-4-7(6-13)8(9(14)15)10(16)17/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKey
YVURRNSWNKXGGT-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.68
TPSA
104.14
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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