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CAS 1227908-77-1 (2R)-2-(4-Methylphenyl)pyrrolidine molecular structure lightbox
CAS RN: 1227908-77-1

(2R)-2-(4-Methylphenyl)pyrrolidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1227908-77-1
  • Purity/Analytical Methods: >99.0%
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1227908-77-1 / (2R)-2-(4-methylphenyl)pyrrolidine

Standard CAS: 1227908-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227908-77-1
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
CC1=CC=C(C=C1)[C@H]2CCCN2
InChI
InChI=1S/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3/t11-/m1/s1
InChIKey
TXFISDWSKUHPET-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.16
TPSA
12.03

LogP / Solubility

WLOGP
2.42
MLOGP
2.12
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-1.99

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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