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CAS 193414-60-7 7-BroMo-3,4-dihydro-2H-1,4-benzothiazine molecular structure lightbox
CAS RN: 193414-60-7

7-BroMo-3,4-dihydro-2H-1,4-benzothiazine

  • Product code: SSC-090773
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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 193414-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

193414-60-7 / 7-bromo-3,4-dihydro-2H-1,4-benzothiazine

Standard CAS: 193414-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193414-60-7
Multi CAS
No
Molecular Formula
C8H8BrNS
Molecular Weight
230.130000
Exact Mass
228.956080
SMILES
C1CSC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C8H8BrNS/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKey
QWWYGAWGUCQKDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.36
TPSA
12.03

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.02

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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