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CAS 1402393-56-9 1402393-56-9 molecular structure lightbox
CAS RN: 1402393-56-9

1402393-56-9

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251116 1g / 5g / 25g Confirm by inquiry Shanghai, Chongqing Inquiry
Batchno.20260624 25g In stock Shanghai Inquiry
Batchno.20251219 5g In stock Shanghai Inquiry
  • Product code: SSC-050768
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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: ＞97%
  • 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 1402393-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1402393-56-9 / 2-bromo-1,4-dimethoxy-3-[2,4,6-tri(propan-2-yl)phenyl]benzene

Standard CAS: 1402393-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402393-56-9
Multi CAS
No
Molecular Formula
C23H31BrO2
Molecular Weight
419.400000
Exact Mass
418.150740
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2Br)OC)OC)C(C)C
InChI
InChI=1S/C23H31BrO2/c1-13(2)16-11-17(14(3)4)21(18(12-16)15(5)6)22-19(25-7)9-10-20(26-8)23(22)24/h9-15H,1-8H3
InChIKey
MPAYZJCEJZADBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
114.95
TPSA
18.46

LogP / Solubility

WLOGP
7.5
MLOGP
6.63
XLogP3
7.6
Consensus LogP
7.24
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.05

Drug-likeness / Medicinal Chemistry

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

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