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CAS 1213546-22-5 (2R)-2-(2,6-DIMETHYLPHENYL)PYRROLIDINE molecular structure lightbox
CAS RN: 1213546-22-5

(2R)-2-(2,6-DIMETHYLPHENYL)PYRROLIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213546-22-5
  • Purity/Analytical Methods: >99.0%
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1213546-22-5 / (2R)-2-(2,6-dimethylphenyl)pyrrolidine

2-(2,6-Dimethylphenyl)pyrrolidine | RefChem:452213 | 868-714-2

Standard CAS: 1213546-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213546-22-5
Multi CAS
Yes
Molecular Formula
C12H17N
Molecular Weight
175.270000
Exact Mass
175.136100
SMILES
CC1=C(C(=CC=C1)C)[C@H]2CCCN2
InChI
InChI=1S/C12H17N/c1-9-5-3-6-10(2)12(9)11-7-4-8-13-11/h3,5-6,11,13H,4,7-8H2,1-2H3/t11-/m1/s1
InChIKey
XDBWPROXDXLPDU-LLVKDONJSA-N
Synonyms
2-(2,6-Dimethylphenyl)pyrrolidine RefChem:452213 868-714-2 MFCD05189446 2-(2,6-Dimethyl-phenyl)-pyrrolidine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.89
TPSA
12.03

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-1.85

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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