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CAS 5407-61-4 1-(2-Hydroxy-2-phenylethyl)pyrrolidine molecular structure lightbox
CAS RN: 5407-61-4

1-(2-Hydroxy-2-phenylethyl)pyrrolidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5407-61-4
  • Purity/Analytical Methods: >99.0%
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5407-61-4 / 1-phenyl-2-pyrrolidin-1-ylethanol

Standard CAS: 5407-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5407-61-4
Multi CAS
Yes
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2
InChIKey
FHBPYEQRIDZSBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.08
TPSA
23.47

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.4
Consensus LogP
1.61
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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