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CAS 835879-06-6 2-AMino-5-(4-Methyl-1-piperazinyl)benzoic Acid molecular structure lightbox
CAS RN: 835879-06-6

2-AMino-5-(4-Methyl-1-piperazinyl)benzoic Acid

  • Product code: SSC-191352
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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, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • 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 835879-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

835879-06-6 / 2-amino-5-(4-methylpiperazin-1-yl)benzoic acid

Standard CAS: 835879-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
835879-06-6
Multi CAS
No
Molecular Formula
C12H17N3O2
Molecular Weight
235.280000
Exact Mass
235.132077
InChI
InChI=1S/C12H17N3O2/c1-14-4-6-15(7-5-14)9-2-3-11(13)10(8-9)12(16)17/h2-3,8H,4-7,13H2,1H3,(H,16,17)
InChIKey
JFANXMJCQYGAIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.52
TPSA
69.8

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
-1.4
Consensus LogP
-0.01
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.64

Drug-likeness / Medicinal Chemistry

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

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