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CAS 1217847-41-0 (2S)-2-(4-Methylphenyl)pyrrolidine molecular structure lightbox
CAS RN: 1217847-41-0

(2S)-2-(4-Methylphenyl)pyrrolidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-024554
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217847-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1217847-41-0 / (2S)-2-(4-methylphenyl)pyrrolidine

Standard CAS: 1217847-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217847-41-0
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-/m0/s1
InChIKey
TXFISDWSKUHPET-NSHDSACASA-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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