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CAS 883522-52-9 2-BROMO-4-MORPHOLIN-4-YL-BENZALDEHYDE molecular structure lightbox
CAS RN: 883522-52-9

2-BROMO-4-MORPHOLIN-4-YL-BENZALDEHYDE

  • Product code: SSC-198932
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 883522-52-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

883522-52-9 / 2-bromo-4-morpholin-4-ylbenzaldehyde

Standard CAS: 883522-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883522-52-9
Multi CAS
No
Molecular Formula
BC11H12O2Rn
Molecular Weight
270.120000
Exact Mass
269.005140
InChI
InChI=1S/C11H12BrNO2/c12-11-7-10(2-1-9(11)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChIKey
PLLUXWMBHPQEKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.56
TPSA
29.54

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.88

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

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