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CAS 3022-11-5 4,5-DIHYDRO-2-[6-METHOXY-2-BENZOTHIAZOLYL]-4-THIAZOLINECARBOXYLIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 3022-11-5

4,5-DIHYDRO-2-[6-METHOXY-2-BENZOTHIAZOLYL]-4-THIAZOLINECARBOXYLIC ACID SODIUM SALT

  • Product code: SSC-133967
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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 3022-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

3022-11-5 / 2-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Standard CAS: 3022-11-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3022-11-5
Multi CAS
Yes
Molecular Formula
C12H10N2O3S2
Molecular Weight
294.400000
Exact Mass
294.013285
InChI
InChI=1S/C12H10N2O3S2/c1-17-6-2-3-7-9(4-6)19-11(13-7)10-14-8(5-18-10)12(15)16/h2-4,8H,5H2,1H3,(H,15,16)
InChIKey
ZTQKCGHSTKIWFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.59
TPSA
71.78

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

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

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