[email protected]
CAS 106261-49-8 4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride molecular structure lightbox
CAS RN: 106261-49-8

4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100g In stock Inquiry
Batchno.20250329 25g In stock Inquiry
Batchno.20250821 500g In stock Inquiry
Batchno.20250310 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 100g In stock Shanghai Inquiry
Batchno.20250223 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260530 1kg Out of stock Inquiry
Batchno.20250711 500g In stock Shanghai Inquiry
Batchno.20250901 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-008021
GET A QUOTE
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, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 106261-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shanghai Inquiry

106261-49-8 / 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride

4-[(4-methylpiperazin-1-yl)methyl]benzoic Acid Dihydrochloride | 4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride | 4-(4-Methylpiperazinomethyl)benzoic Acid Dihydrochloride

Standard CAS: 106261-49-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106261-49-8
Multi CAS
Yes
Molecular Formula
C13H20Cl2N2O2
Molecular Weight
307.210000
Exact Mass
306.090183
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
InChI
InChI=1S/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H
InChIKey
ISHROKOWRJDOSN-UHFFFAOYSA-N
Synonyms
4-[(4-methylpiperazin-1-yl)methyl]benzoic Acid Dihydrochloride 4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride 4-(4-Methylpiperazinomethyl)benzoic Acid Dihydrochloride DJ6E7RG2D9 4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.67
TPSA
43.78

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-3.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (64.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us