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CAS 1211533-63-9 5-bromo-2-chlorooxazolo[4,5-b]pyridine molecular structure lightbox
CAS RN: 1211533-63-9

5-bromo-2-chlorooxazolo[4,5-b]pyridine

  • Product code: SSC-022671
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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 1211533-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

1211533-63-9 / 5-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine

5-Bromo-2-chlorooxazolo[4,5-b]pyridine | MFCD16659137 | 5-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine

Standard CAS: 1211533-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211533-63-9
Multi CAS
No
Molecular Formula
C6H2BrClN2O
Molecular Weight
233.450000
Exact Mass
231.903900
SMILES
C1=CC(=NC2=C1OC(=N2)Cl)Br
InChI
InChI=1S/C6H2BrClN2O/c7-4-2-1-3-5(9-4)10-6(8)11-3/h1-2H
InChIKey
NGHUDMNVAHITBV-UHFFFAOYSA-N
Synonyms
5-Bromo-2-chlorooxazolo[4,5-b]pyridine MFCD16659137 5-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine SCHEMBL26092093 SY295257

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
44.51
TPSA
38.92

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
3
Consensus LogP
2.66
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.27

Drug-likeness / Medicinal Chemistry

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

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