CAS RN: 2170869-18-6
(3S,4S)-1-Boc-pyrrolidine-3,4-dicarboxylic 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.20260204 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104552
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2170869-18-6 / (3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
Basic Information
CAS
2170869-18-6
Multi CAS
No
Molecular Formula
C11H17NO6
Molecular Weight
259.260000
Exact Mass
259.105587
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C(=O)O
InChI
InChI=1S/C11H17NO6/c1-11(2,3)18-10(17)12-4-6(8(13)14)7(5-12)9(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-/m1/s1
InChIKey
CEWHNBGJGPXFED-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.06
TPSA
104.14
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
-0.1
Consensus LogP
0.37
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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