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CAS 1197193-44-4 4-Chloro-2-(4-Methyl-1-piperazinyl)benzoic Acid molecular structure lightbox
CAS RN: 1197193-44-4

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020445
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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, 10g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 1197193-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 5 In Stock Shanghai Inquiry
10g ≥97% 4 In Stock Shenzhen Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry

1197193-44-4 / 4-chloro-2-(4-methylpiperazin-1-yl)benzoic acid

4-CHLORO-2-(4-METHYL-1-PIPERAZINYL)BENZOIC ACID | 4-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID | MFCD13191621

Standard CAS: 1197193-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197193-44-4
Multi CAS
No
Molecular Formula
C12H15ClN2O2
Molecular Weight
254.710000
Exact Mass
254.082205
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKey
RQOFHWOTPWWXGY-UHFFFAOYSA-N
Synonyms
4-CHLORO-2-(4-METHYL-1-PIPERAZINYL)BENZOIC ACID 4-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID MFCD13191621 Benzoic acid, 4-chloro-2-(4-methyl-1-piperazinyl)- DTXSID301244412

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.12
TPSA
43.78

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
-0.3
Consensus LogP
1.02
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

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