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CAS 71337-53-6 BIS(3,5-DIBROMOSALICYL) FUMARATE molecular structure lightbox
CAS RN: 71337-53-6

BIS(3,5-DIBROMOSALICYL) FUMARATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-180966
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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 71337-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

71337-53-6 / 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid

Standard CAS: 71337-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71337-53-6
Multi CAS
Yes
Molecular Formula
C18H8BR4O8
Molecular Weight
671.900000
Exact Mass
671.691170
InChI
InChI=1S/C18H8Br4O8/c19-7-3-9(17(25)26)15(11(21)5-7)29-13(23)1-2-14(24)30-16-10(18(27)28)4-8(20)6-12(16)22/h1-6H,(H,25,26)(H,27,28)/b2-1+
InChIKey
INZBQWPDNWVYFR-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.01
TPSA
127.2

LogP / Solubility

WLOGP
5.2
MLOGP
4.63
XLogP3
5.1
Consensus LogP
4.98
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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