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CAS 25260-36-0 IFLAB-BB F2108-0112 molecular structure lightbox
CAS RN: 25260-36-0

IFLAB-BB F2108-0112

  • Product code: SSC-121061
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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, 5g
  • 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 25260-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

25260-36-0 / 2-chloro-1-pyridin-4-ylethanone;hydrochloride

Standard CAS: 25260-36-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
25260-36-0
Multi CAS
Yes
Molecular Formula
C7H7Cl2NO
Molecular Weight
192.040000
Exact Mass
190.990469
InChI
InChI=1S/C7H6ClNO.ClH/c8-5-7(10)6-1-3-9-4-2-6;/h1-4H,5H2;1H
InChIKey
BJGYKDZVSXPTIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.54
TPSA
29.96

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.92
Consensus LogP
1.84
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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