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CAS 306953-58-2 4-[[(4-Phenyl-1-piperazinyl)imino]methyl]-1,3-benzenediol molecular structure lightbox
CAS RN: 306953-58-2

4-[[(4-Phenyl-1-piperazinyl)imino]methyl]-1,3-benzenediol

  • Product code: SSC-135604
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 306953-58-2
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 Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

306953-58-2 / 4-[(4-phenylpiperazin-1-yl)iminomethyl]benzene-1,3-diol

Standard CAS: 306953-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
306953-58-2
Multi CAS
Yes
Molecular Formula
C17H19N3O2
Molecular Weight
297.350000
Exact Mass
297.147727
InChI
InChI=1S/C17H19N3O2/c21-16-7-6-14(17(22)12-16)13-18-20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12-13,21-22H,8-11H2/b18-13+
InChIKey
YWMXWXLJJAEYIR-QGOAFFKASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.59
TPSA
59.3

LogP / Solubility

WLOGP
2.25
MLOGP
2
XLogP3
3
Consensus LogP
2.42
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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