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CAS 1197193-26-2 4-(4-Methylpiperazin-1-yl)-2-(methylsulfonyl)benzaldehyde molecular structure lightbox
CAS RN: 1197193-26-2

4-(4-Methylpiperazin-1-yl)-2-(methylsulfonyl)benzaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020430
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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: 0.1g, 1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1197193-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1197193-26-2 / 4-(4-methylpiperazin-1-yl)-2-methylsulfonylbenzaldehyde

4-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)BENZALDEHYDE | 4-(4-METHYLPIPERAZIN-1-YL)-2-(METHYLSULFONYL)BENZALDEHYDE | MFCD13191596

Standard CAS: 1197193-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-26-2
Multi CAS
No
Molecular Formula
C13H18N2O3S
Molecular Weight
282.360000
Exact Mass
282.103814
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C=O)S(=O)(=O)C
InChI
InChI=1S/C13H18N2O3S/c1-14-5-7-15(8-6-14)12-4-3-11(10-16)13(9-12)19(2,17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKey
RGSLNJIEVKCBHC-UHFFFAOYSA-N
Synonyms
4-(4-METHYL-1-PIPERAZINYL)-2-(METHYLSULFONYL)BENZALDEHYDE 4-(4-METHYLPIPERAZIN-1-YL)-2-(METHYLSULFONYL)BENZALDEHYDE MFCD13191596 4-(4-methylpiperazin-1-yl)-2-methylsulfonylbenzaldehyde Benzaldehyde, 4-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
74.65
TPSA
57.69

LogP / Solubility

WLOGP
0.65
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.98

Drug-likeness / Medicinal Chemistry

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

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