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CAS 1189767-28-9 BI-409306 molecular structure lightbox
CAS RN: 1189767-28-9

BI-409306

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Batchno.20250624 5mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1189767-28-9
  • Purity/Analytical Methods: >99.0%
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1189767-28-9 / 1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

Osoresnontrine | BI-409306 | O9OC34WOAY

Standard CAS: 1189767-28-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189767-28-9
Multi CAS
Yes
Molecular Formula
C16H17N5O2
Molecular Weight
311.340000
Exact Mass
311.138225
SMILES
C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChI
InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKey
BZTIJCSHNVZMES-UHFFFAOYSA-N
Synonyms
Osoresnontrine BI-409306 O9OC34WOAY BI 409306 SUB 166499

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.28
TPSA
85.69

LogP / Solubility

WLOGP
1.46
MLOGP
1.3
XLogP3
0.2
Consensus LogP
0.99
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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