[email protected]
CAS 106261-48-7 4-(4-Methylpiperazin-1-ylmethyl)benzoic acid molecular structure lightbox
CAS RN: 106261-48-7

4-(4-Methylpiperazin-1-ylmethyl)benzoic acid

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251216 250mg In stock Shanghai Inquiry
Batchno.20251111 25g In stock Shanghai, Chengdu Inquiry
Batchno.20260525 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008020
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: 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 1
  • 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 106261-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

106261-48-7 / 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

4-(4-Methyl-1-piperazinylmethyl)benzoic Acid | RefChem:514364 | 691-123-4

Standard CAS: 106261-48-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106261-48-7
Multi CAS
Yes
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H18N2O2/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)
InChIKey
ZJUXJQSYXBYFFO-UHFFFAOYSA-N
Synonyms
4-(4-Methyl-1-piperazinylmethyl)benzoic Acid RefChem:514364 691-123-4 4-(4-Methylpiperazin-1-ylmethyl)benzoic Acid 4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.18
TPSA
43.78

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
-1.2
Consensus LogP
0.31
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.35

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us