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CAS 1197193-16-0 4-Fluoro-3-(4-methylpiperazin-1-yl)benzaldehyde molecular structure lightbox
CAS RN: 1197193-16-0

4-Fluoro-3-(4-methylpiperazin-1-yl)benzaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020421
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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: 5g, 0.25g, 1g, 0.1g, 10g
  • 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 1197193-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1197193-16-0 / 4-fluoro-3-(4-methylpiperazin-1-yl)benzaldehyde

4-FLUORO-3-(4-METHYL-1-PIPERAZINYL)BENZALDEHYDE | 4-FLUORO-3-(4-METHYLPIPERAZIN-1-YL)BENZALDEHYDE | MFCD13191605

Standard CAS: 1197193-16-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1197193-16-0
Multi CAS
Yes
Molecular Formula
C12H15FN2O
Molecular Weight
222.260000
Exact Mass
222.116841
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C12H15FN2O/c1-14-4-6-15(7-5-14)12-8-10(9-16)2-3-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKey
LKLSDLACNUEQLH-UHFFFAOYSA-N
Synonyms
4-FLUORO-3-(4-METHYL-1-PIPERAZINYL)BENZALDEHYDE 4-FLUORO-3-(4-METHYLPIPERAZIN-1-YL)BENZALDEHYDE MFCD13191605 Benzaldehyde, 4-fluoro-3-(4-methyl-1-piperazinyl)- AKOS015904111

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.5
TPSA
23.55

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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