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CAS 90814-91-8 7-Bromo-2H-1,4-benzothiazin-3(4H)-one molecular structure lightbox
CAS RN: 90814-91-8

7-Bromo-2H-1,4-benzothiazin-3(4H)-one

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 1g In stock Inquiry
Batchno.20250620 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251016 200mg / 1g / 5g Out of stock 30 business days Inquiry
  • Product code: SSC-203460
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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 90814-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

90814-91-8 / 7-bromo-4H-1,4-benzothiazin-3-one

Standard CAS: 90814-91-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90814-91-8
Multi CAS
Yes
Molecular Formula
BC8H6ORnS
Molecular Weight
244.110000
Exact Mass
242.935350
InChI
InChI=1S/C8H6BrNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
MDFPWMKBRDOSGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.5
TPSA
29.1

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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