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CAS 1263046-66-7 4,5-DIHYDRO-2-(6-HYDROXY-2-BENZOTHIAZOLYL)-4-THIAZOLECARBOXYLIC ACID POTASSIUM SALT molecular structure lightbox
CAS RN: 1263046-66-7

4,5-DIHYDRO-2-(6-HYDROXY-2-BENZOTHIAZOLYL)-4-THIAZOLECARBOXYLIC ACID POTASSIUM SALT

  • Product code: SSC-033289
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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: 0.1g, 0.25g, 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 1263046-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1263046-66-7 / potassium (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

Standard CAS: 1263046-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263046-66-7
Multi CAS
No
Molecular Formula
C11H7KN2O3S2
Molecular Weight
318.400000
Exact Mass
317.953516
SMILES
C1[C@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-].[K+]
InChI
InChI=1S/C11H8N2O3S2.K/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16;/h1-3,7,14H,4H2,(H,15,16);/q;+1/p-1/t7-;/m0./s1
InChIKey
UMBKGTQQGYPQBE-FJXQXJEOSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
69.07
TPSA
85.61

LogP / Solubility

WLOGP
-2.38
MLOGP
-2.08
XLogP3
-2.38
Consensus LogP
-2.28
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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