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CAS 2166216-34-6 Pramipexole Related Impurity 3 molecular structure lightbox
CAS RN: 2166216-34-6

Pramipexole Related Impurity 3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2166216-34-6
  • Purity/Analytical Methods: >99.0%
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2166216-34-6 / (6S,7R)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Standard CAS: 2166216-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2166216-34-6
Multi CAS
No
Molecular Formula
C10H17N3OS
Molecular Weight
227.330000
Exact Mass
227.109233
SMILES
CCCN[C@H]1CCC2=C([C@@H]1O)SC(=N2)N
InChI
InChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)/t6-,8+/m0/s1
InChIKey
UWNDKVURLHPSSG-POYBYMJQSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
61.89
TPSA
71.17

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

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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