[email protected]
CAS 443777-03-5 3-BROMO-4-(4-METHYL-PIPERAZIN-1-YL)-BENZALDEHYDE molecular structure lightbox
CAS RN: 443777-03-5

3-BROMO-4-(4-METHYL-PIPERAZIN-1-YL)-BENZALDEHYDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 250mg In stock Shanghai Inquiry
  • Product code: SSC-152362
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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 443777-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

443777-03-5 / 3-bromo-4-(4-methylpiperazin-1-yl)benzaldehyde

Standard CAS: 443777-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
443777-03-5
Multi CAS
No
Molecular Formula
BC12H15ORn2
Molecular Weight
283.160000
Exact Mass
282.036780
InChI
InChI=1S/C12H15BrN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8-9H,4-7H2,1H3
InChIKey
SBYCBJFPQHUWDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.24
TPSA
23.55

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us