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CAS 1208084-77-8 8-BroMo-[1,2,4]triazolo[4,3-c]pyriMidine molecular structure lightbox
CAS RN: 1208084-77-8

8-BroMo-[1,2,4]triazolo[4,3-c]pyriMidine

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251219 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260310 250mg Out of stock Inquiry
  • Product code: SSC-022153
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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 1208084-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1208084-77-8 / 8-bromo-[1,2,4]triazolo[4,3-c]pyrimidine

8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine | 8-Bromo-(1,2,4)triazolo(4,3-c)pyrimidine | RefChem:547665

Standard CAS: 1208084-77-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1208084-77-8
Multi CAS
No
Molecular Formula
C5H3BrN4
Molecular Weight
199.010000
Exact Mass
197.954110
SMILES
C1=C(C2=NN=CN2C=N1)Br
InChI
InChI=1S/C5H3BrN4/c6-4-1-7-2-10-3-8-9-5(4)10/h1-3H
InChIKey
PWBGVYGIQJQOKQ-UHFFFAOYSA-N
Synonyms
8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidine 8-Bromo-(1,2,4)triazolo(4,3-c)pyrimidine RefChem:547665 107-769-2 MFCD12403879

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
38.48
TPSA
43.08

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1.2
Consensus LogP
0.96
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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