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CAS 82231-53-6 AKOS B018507 molecular structure lightbox
CAS RN: 82231-53-6

AKOS B018507

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260113 1g In stock Shanghai Inquiry
  • Product code: SSC-190431
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 82231-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

82231-53-6 / 2-(4-bromopyrazol-1-yl)acetic acid

Standard CAS: 82231-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82231-53-6
Multi CAS
Yes
Molecular Formula
BC5H5O2Rn2
Molecular Weight
205.010000
Exact Mass
203.953440
InChI
InChI=1S/C5H5BrN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
InChIKey
WRXIKBHQDRMYJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.56
TPSA
55.12

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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