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CAS 1197193-31-9 4-Fluoro-3-pyrrolidinobenzaldehyde molecular structure lightbox
CAS RN: 1197193-31-9

4-Fluoro-3-pyrrolidinobenzaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020434
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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: 1g, 5g, 0.25g, 25g, 0.1g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 12
  • 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 1197193-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
25g -- 2 In Stock Beijing Inquiry
25g ≥95% 2 In Stock Beijing Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Beijing Inquiry

1197193-31-9 / 4-fluoro-3-pyrrolidin-1-ylbenzaldehyde

4-fluoro-3-pyrrolidinobenzaldehyde | 4-Fluoro-3-(pyrrolidin-1-yl)benzaldehyde | 4-fluoro-3-pyrrolidin-1-ylbenzaldehyde

Standard CAS: 1197193-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-31-9
Multi CAS
No
Molecular Formula
C11H12FNO
Molecular Weight
193.220000
Exact Mass
193.090292
SMILES
C1CCN(C1)C2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C11H12FNO/c12-10-4-3-9(8-14)7-11(10)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2
InChIKey
MSDFLEONWSSNMO-UHFFFAOYSA-N
Synonyms
4-fluoro-3-pyrrolidinobenzaldehyde 4-Fluoro-3-(pyrrolidin-1-yl)benzaldehyde 4-fluoro-3-pyrrolidin-1-ylbenzaldehyde MFCD13191603 Benzaldehyde, 4-fluoro-3-(1-pyrrolidinyl)-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.23
TPSA
20.31

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.1
Consensus LogP
2.1
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.31

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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