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CAS 628325-62-2 3-(4-Methylpiperazin-1-yl)benzaldehyde molecular structure lightbox
CAS RN: 628325-62-2

3-(4-Methylpiperazin-1-yl)benzaldehyde

  • Product code: SSC-172194
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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, 1g, 10g, 25g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 628325-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
25g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

628325-62-2 / 3-(4-methylpiperazin-1-yl)benzaldehyde

Standard CAS: 628325-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
628325-62-2
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9-10H,5-8H2,1H3
InChIKey
LQDFMHOZQXAHNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.54
TPSA
23.55

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.3
Consensus LogP
1.22
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.08

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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