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CAS 2089624-53-1 2089624-53-1 molecular structure lightbox
CAS RN: 2089624-53-1

2089624-53-1

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250603 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-098340
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2089624-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

2089624-53-1 / (2R)-2-[3-(6-bromo-2-pyridinyl)-1,2,4-triazol-4-yl]propan-1-ol

Standard CAS: 2089624-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089624-53-1
Multi CAS
No
Molecular Formula
C10H11BrN4O
Molecular Weight
283.120000
Exact Mass
282.011620
SMILES
C[C@H](CO)N1C=NN=C1C2=NC(=CC=C2)Br
InChI
InChI=1S/C10H11BrN4O/c1-7(5-16)15-6-12-14-10(15)8-3-2-4-9(11)13-8/h2-4,6-7,16H,5H2,1H3/t7-/m1/s1
InChIKey
BWLQKVQZYUNSMW-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.75
TPSA
63.83

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
0.7
Consensus LogP
1.28
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-3.27

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
2

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