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CAS 3855-95-6 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 3855-95-6

2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260313 1g Out of stock 8-10 business days Inquiry
Batchno.20250501 250mg In stock Shanghai Inquiry
  • Product code: SSC-146196
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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 3855-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3855-95-6 / 2-chloro-1,3-benzothiazole-6-carboxylic acid

Standard CAS: 3855-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3855-95-6
Multi CAS
No
Molecular Formula
C8H4CLNO2S
Molecular Weight
213.640000
Exact Mass
212.965127
InChI
InChI=1S/C8H4ClNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
InChIKey
QLAKWSXVXQRGDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.59
TPSA
50.19

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
3.1
Consensus LogP
2.69
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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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