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CAS 1212895-72-1 (2S)-2-[2-(METHYLETHYL)PHENYL]PYRROLIDINE molecular structure lightbox
CAS RN: 1212895-72-1

(2S)-2-[2-(METHYLETHYL)PHENYL]PYRROLIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023119
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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: ≥95%
  • 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 1212895-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1212895-72-1 / (2S)-2-(2-propan-2-ylphenyl)pyrrolidine

2-(2-isopropylphenyl)pyrrolidine | 2-[2-(propan-2-yl)phenyl]pyrrolidine | SCHEMBL23057911

Standard CAS: 1212895-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212895-72-1
Multi CAS
Yes
Molecular Formula
C13H19N
Molecular Weight
189.300000
Exact Mass
189.151750
SMILES
CC(C)C1=CC=CC=C1[C@@H]2CCCN2
InChI
InChI=1S/C13H19N/c1-10(2)11-6-3-4-7-12(11)13-8-5-9-14-13/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3/t13-/m0/s1
InChIKey
BOHFZXYLEIZSCX-ZDUSSCGKSA-N
Synonyms
2-(2-isopropylphenyl)pyrrolidine 2-[2-(propan-2-yl)phenyl]pyrrolidine SCHEMBL23057911 PB39912 2-[2-(1-Methylethyl)phenyl]pyrrolidine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.51
TPSA
12.03

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.58

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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