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CAS 51980-54-2 1-(4-Formylphenyl)pyrrolidine molecular structure lightbox
CAS RN: 51980-54-2

1-(4-Formylphenyl)pyrrolidine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260210 25g In stock Shandong Inquiry
Batchno.20251117 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-159025
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 1g, 25g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51980-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Beijing Inquiry
1g >97% 3 In Stock Shanghai Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

51980-54-2 / 4-pyrrolidin-1-ylbenzaldehyde

Standard CAS: 51980-54-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51980-54-2
Multi CAS
Yes
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
InChIKey
DATXHLPRESKQJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.28
TPSA
20.31

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
3
Consensus LogP
2.31
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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