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CAS 1256819-81-4 6-Chlorooxazolo[5,4-b]pyridin-2-aMine molecular structure lightbox
CAS RN: 1256819-81-4

6-Chlorooxazolo[5,4-b]pyridin-2-aMine

  • Product code: SSC-030801
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1256819-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1256819-81-4 / 6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-amine

Standard CAS: 1256819-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256819-81-4
Multi CAS
No
Molecular Formula
C6H4ClN3O
Molecular Weight
169.570000
Exact Mass
169.004290
SMILES
C1=C(C=NC2=C1N=C(O2)N)Cl
InChI
InChI=1S/C6H4ClN3O/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10)
InChIKey
PEDGQBYWIPBVNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.23
TPSA
64.94

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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