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CAS 149833-95-4 4-(4-BROMOBENZYLOXY)BENZALDEHYDE molecular structure lightbox
CAS RN: 149833-95-4

4-(4-BROMOBENZYLOXY)BENZALDEHYDE

  • Product code: SSC-059768
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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: >97%
  • 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 149833-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry

149833-95-4 / 4-[(4-bromophenyl)methoxy]benzaldehyde

Standard CAS: 149833-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149833-95-4
Multi CAS
No
Molecular Formula
C14H11BrO2
Molecular Weight
291.140000
Exact Mass
289.994240
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)Br
InChI
InChI=1S/C14H11BrO2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-9H,10H2
InChIKey
HGCGRPJQAXHMMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
70.3
TPSA
26.3

LogP / Solubility

WLOGP
3.84
MLOGP
3.39
XLogP3
3.5
Consensus LogP
3.58
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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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