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CAS 29266-68-0 1,2-benzisothiazole-3-acetic acid molecular structure lightbox
CAS RN: 29266-68-0

1,2-benzisothiazole-3-acetic acid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251204 100mg In stock Shanghai Inquiry
Batchno.20260330 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250331 1g In stock Shanghai Inquiry
Batchno.20250910 250mg In stock Shanghai Inquiry
Batchno.20260204 5g In stock Shanghai Inquiry
  • Product code: SSC-131896
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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: 0.25g
  • 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 29266-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

29266-68-0 / 2-(1,2-benzothiazol-3-yl)acetic acid

Standard CAS: 29266-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29266-68-0
Multi CAS
Yes
Molecular Formula
C9H7NO2S
Molecular Weight
193.220000
Exact Mass
193.019750
InChI
InChI=1S/C9H7NO2S/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)
InChIKey
HWLOCGLMEHUBAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.96
TPSA
50.19

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.8
Consensus LogP
1.8
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

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

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