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CAS 1190927-25-3 2-Chlorothiazolo[4,5-b]pyrazine molecular structure lightbox
CAS RN: 1190927-25-3

2-Chlorothiazolo[4,5-b]pyrazine

  • Product code: SSC-019553
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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 1190927-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1190927-25-3 / 2-chloro-[1,3]thiazolo[4,5-b]pyrazine

2-chloro-[1,3]thiazolo[4,5-b]pyrazine | 2-chloro-(1,3)thiazolo(4,5-b)pyrazine | RefChem:468203

Standard CAS: 1190927-25-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1190927-25-3
Multi CAS
No
Molecular Formula
C5H2ClN3S
Molecular Weight
171.610000
Exact Mass
170.965796
SMILES
C1=CN=C2C(=N1)N=C(S2)Cl
InChI
InChI=1S/C5H2ClN3S/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H
InChIKey
XSELTIRLYGXVQG-UHFFFAOYSA-N
Synonyms
2-chloro-[1,3]thiazolo[4,5-b]pyrazine 2-chloro-(1,3)thiazolo(4,5-b)pyrazine RefChem:468203 970-340-0 2-Chlorothiazolo[4,5-b]pyrazine

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
40.22
TPSA
38.67

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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