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CAS 68460-01-5 Tetrabromo-o-sulfobenzoic Anhydride molecular structure lightbox
CAS RN: 68460-01-5

Tetrabromo-o-sulfobenzoic Anhydride

  • Product code: SSC-178192
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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: 5g
  • 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 68460-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

68460-01-5 / 4,5,6,7-tetrabromo-1,1-dioxo-2,1lambda6-benzoxathiol-3-one

Standard CAS: 68460-01-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68460-01-5
Multi CAS
Yes
Molecular Formula
C7BR4O4S
Molecular Weight
499.760000
Exact Mass
499.620980
InChI
InChI=1S/C7Br4O4S/c8-2-1-6(5(11)4(10)3(2)9)16(13,14)15-7(1)12
InChIKey
QPGYGIVRJIICGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
69.84
TPSA
60.44

LogP / Solubility

WLOGP
3.6
MLOGP
3.2
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22

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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