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CAS 1197193-10-4 2-(4-Methyl-1-piperazinyl)-4-(Methylsulfonyl)benzoic Acid molecular structure lightbox
CAS RN: 1197193-10-4

2-(4-Methyl-1-piperazinyl)-4-(Methylsulfonyl)benzoic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020416
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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, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1197193-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1197193-10-4 / 2-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzoic acid

2-(4-METHYL-1-PIPERAZINYL)-4-(METHYLSULFONYL)BENZOIC ACID | 2-(4-METHYLPIPERAZIN-1-YL)-4-(METHYLSULFONYL)BENZOIC ACID | MFCD13191616

Standard CAS: 1197193-10-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1197193-10-4
Multi CAS
Yes
Molecular Formula
C13H18N2O4S
Molecular Weight
298.360000
Exact Mass
298.098728
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)C)C(=O)O
InChI
InChI=1S/C13H18N2O4S/c1-14-5-7-15(8-6-14)12-9-10(20(2,18)19)3-4-11(12)13(16)17/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKey
AFDDQQRUJDNNQM-UHFFFAOYSA-N
Synonyms
2-(4-METHYL-1-PIPERAZINYL)-4-(METHYLSULFONYL)BENZOIC ACID 2-(4-METHYLPIPERAZIN-1-YL)-4-(METHYLSULFONYL)BENZOIC ACID MFCD13191616 2-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzoic acid Benzoic acid, 2-(4-methyl-1-piperazinyl)-4-(methylsulfonyl)-

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.22
TPSA
77.92

LogP / Solubility

WLOGP
0.54
MLOGP
0.49
XLogP3
-1.7
Consensus LogP
-0.22
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-4.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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