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CAS 136937-03-6 (S,S)-2,2′-Bipyrrolidine D-tartrate trihydrate molecular structure lightbox
CAS RN: 136937-03-6

(S,S)-2,2′-Bipyrrolidine D-tartrate trihydrate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS136937-03-6
  • Purity/Analytical Methods: >99.0%
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136937-03-6 / (2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-2-[(2S)-pyrrolidin-2-yl]pyrrolidine

Standard CAS: 136937-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136937-03-6
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-/m00/s1
InChIKey
BVJBPIDVENIULD-CSEKXHCISA-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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