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CAS 1632406-53-1 (5-Bromo-2-((4-Methoxybenzyl)Oxy)Phenyl)(3,5-Dimethoxyphenyl)Methanone molecular structure lightbox
CAS RN: 1632406-53-1

(5-Bromo-2-((4-Methoxybenzyl)Oxy)Phenyl)(3,5-Dimethoxyphenyl)Methanone

  • Product code: SSC-070911
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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 1632406-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1632406-53-1 / [5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-(3,5-dimethoxyphenyl)methanone

Standard CAS: 1632406-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1632406-53-1
Multi CAS
No
Molecular Formula
C23H21BrO5
Molecular Weight
457.300000
Exact Mass
456.057240
SMILES
COC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(=O)C3=CC(=CC(=C3)OC)OC
InChI
InChI=1S/C23H21BrO5/c1-26-18-7-4-15(5-8-18)14-29-22-9-6-17(24)12-21(22)23(25)16-10-19(27-2)13-20(11-16)28-3/h4-13H,14H2,1-3H3
InChIKey
VELYNNLBJROXOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
114.45
TPSA
53.99

LogP / Solubility

WLOGP
5.28
MLOGP
4.68
XLogP3
5.3
Consensus LogP
5.09
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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