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CAS 142773-73-7 (2’S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL molecular structure lightbox
CAS RN: 142773-73-7

(2’S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142773-73-7
  • Purity/Analytical Methods: >99.0%
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142773-73-7 / (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol

Standard CAS: 142773-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142773-73-7
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
CN[C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c1-14-13(11-5-3-2-4-6-11)10-15-8-7-12(16)9-15/h2-6,12-14,16H,7-10H2,1H3/t12-,13+/m0/s1
InChIKey
HEJUZZDQTLAMIH-QWHCGFSZSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.31
TPSA
35.5

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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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