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CAS 211949-57-4 2-Thio-1,3-oxazolo[4,5-b]pyridine molecular structure lightbox
CAS RN: 211949-57-4

2-Thio-1,3-oxazolo[4,5-b]pyridine

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260206 100mg In stock Shanghai Inquiry
Batchno.20260604 1g In stock Shanghai Inquiry
Batchno.20251230 250mg In stock Shanghai Inquiry
Batchno.20251227 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260426 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS211949-57-4
  • Purity/Analytical Methods: >99.0%
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211949-57-4 / 3H-[1,3]oxazolo[4,5-b]pyridine-2-thione

Standard CAS: 211949-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211949-57-4
Multi CAS
No
Molecular Formula
C6H4N2OS
Molecular Weight
152.180000
Exact Mass
152.004434
SMILES
C1=CC2=C(NC(=S)O2)N=C1
InChI
InChI=1S/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)
InChIKey
BRSZJWYJYOGBGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.19
TPSA
41.82

LogP / Solubility

WLOGP
1.89
MLOGP
1.65
XLogP3
1
Consensus LogP
1.51
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

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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