CAS RN: 137037-21-9
(R,R)-2,2′-Bipyrrolidine L-tartrate trihydrate
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-046545
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 |
137037-21-9 / (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-2-[(2R)-pyrrolidin-2-yl]pyrrolidine
Basic Information
CAS
137037-21-9
Multi CAS
No
Molecular Formula
C12H22N2O6
Molecular Weight
290.310000
Exact Mass
290.147786
SMILES
C1C[C@@H](NC1)[C@H]2CCCN2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C8H16N2.C4H6O6/c1-3-7(9-5-1)8-4-2-6-10-8;5-1(3(7)8)2(6)4(9)10/h7-10H,1-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t7-,8-;1-,2-/m11/s1
InChIKey
BVJBPIDVENIULD-SKDUITIKSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
6
Molar refractivity
69.33
TPSA
139.12
LogP / Solubility
WLOGP
-1.63
MLOGP
-1.43
XLogP3
-1.63
Consensus LogP
-1.56
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-5.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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