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CAS 2006278-02-8 6-Bromo-7-methyl-[1,2,5]thiadiazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 2006278-02-8

6-Bromo-7-methyl-[1,2,5]thiadiazolo[3,4-b]pyridine

  • Product code: SSC-094547
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 2006278-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2006278-02-8 / 6-bromo-7-methyl-[1,2,5]thiadiazolo[3,4-b]pyridine

Standard CAS: 2006278-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006278-02-8
Multi CAS
No
Molecular Formula
C6H4BrN3S
Molecular Weight
230.090000
Exact Mass
228.930930
SMILES
CC1=C(C=NC2=NSN=C12)Br
InChI
InChI=1S/C6H4BrN3S/c1-3-4(7)2-8-6-5(3)9-11-10-6/h2H,1H3
InChIKey
GGQKQNSRGGZAED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
47.65
TPSA
38.67

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
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)
-2.59

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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