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CAS 1049677-32-8 8-Chloro-3-iodoimidazo[1,2-a]pyrazine molecular structure lightbox
CAS RN: 1049677-32-8

8-Chloro-3-iodoimidazo[1,2-a]pyrazine

  • Product code: SSC-006693
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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: 5g
  • 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 1049677-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1049677-32-8 / 8-chloro-3-iodoimidazo[1,2-a]pyrazine

8-CHLORO-3-IODOIMIDAZO[1,2-A]PYRAZINE | DTXSID10676977 | 8-chloro-3-iodoimidazo(1,2-a)pyrazine

Standard CAS: 1049677-32-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1049677-32-8
Multi CAS
Yes
Molecular Formula
C6H3ClIN3
Molecular Weight
279.460000
Exact Mass
278.906020
SMILES
C1=CN2C(=CN=C2C(=N1)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-5-6-10-3-4(8)11(6)2-1-9-5/h1-3H
InChIKey
RHQCTVNTDPLROD-UHFFFAOYSA-N
Synonyms
8-CHLORO-3-IODOIMIDAZO[1,2-A]PYRAZINE DTXSID10676977 8-chloro-3-iodoimidazo(1,2-a)pyrazine RefChem:547926 DTXCID50627726

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.71
TPSA
30.19

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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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