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CAS 499769-91-4 1,3-BENZOTHIAZOL-6-YLBORONIC ACID molecular structure lightbox
CAS RN: 499769-91-4

1,3-BENZOTHIAZOL-6-YLBORONIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260227 100mg In stock Inquiry
Batchno.20250216 1g In stock Inquiry
Batchno.20250925 250mg In stock Inquiry
  • Product code: SSC-156216
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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: ≥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 499769-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

499769-91-4 / 1,3-benzothiazol-6-ylboronic acid

Standard CAS: 499769-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499769-91-4
Multi CAS
No
Molecular Formula
BC7H6NO2S
Molecular Weight
179.010000
Exact Mass
179.021230
InChI
InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChIKey
HGXFPSLIIZOVMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.45
TPSA
53.35

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.02
XLogP3
-0.02
Consensus LogP
-0.02
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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