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CAS 1030626-87-9 PJLKMIJOOGMSKL-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 1030626-87-9

PJLKMIJOOGMSKL-UHFFFAOYSA-N

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250228 100mg In stock Shanghai Inquiry
Batchno.20250306 1g In stock Shanghai Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
Batchno.20260318 50mg In stock Shanghai Inquiry
Batchno.20250406 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250501 5g In stock Shanghai Inquiry
  • Product code: SSC-004510
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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: ＞97%
  • 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 1030626-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1030626-87-9 / 8-bromo-5-chloro-[1,2,4]triazolo[1,5-a]pyridine

8-bromo-5-chloro-[1,2,4]triazolo[1,5-a]pyridine | 8-Bromo-5-chloro-(1,2,4)triazolo(1,5-a)pyridine | RefChem:547775

Standard CAS: 1030626-87-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1030626-87-9
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=C(C2=NC=NN2C(=C1)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-1-2-5(8)11-6(4)9-3-10-11/h1-3H
InChIKey
PJLKMIJOOGMSKL-UHFFFAOYSA-N
Synonyms
8-bromo-5-chloro-[1,2,4]triazolo[1,5-a]pyridine 8-Bromo-5-chloro-(1,2,4)triazolo(1,5-a)pyridine RefChem:547775 879-285-6 MFCD27937929

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.61

Drug-likeness / Medicinal Chemistry

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