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CAS 53714-39-9 Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl] Sulfone molecular structure lightbox
CAS RN: 53714-39-9

Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl] Sulfone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 25g In stock Inquiry
Batchno.20250312 5g In stock Inquiry
Batchno.20250327 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-161115
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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: 100g
  • 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 53714-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

53714-39-9 / 2-[2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol

Standard CAS: 53714-39-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53714-39-9
Multi CAS
Yes
Molecular Formula
C16H14BR4O6S
Molecular Weight
654.000000
Exact Mass
653.720360
InChI
InChI=1S/C16H14Br4O6S/c17-11-5-9(6-12(18)15(11)25-3-1-21)27(23,24)10-7-13(19)16(14(20)8-10)26-4-2-22/h5-8,21-22H,1-4H2
InChIKey
OFBQIWFJRDGFEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
114.3
TPSA
93.06

LogP / Solubility

WLOGP
4.31
MLOGP
3.85
XLogP3
4.1
Consensus LogP
4.09
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

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

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