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CAS 1202402-92-3 Cyclobutanol, 1-(2-pyridinyl)- molecular structure lightbox
CAS RN: 1202402-92-3

Cyclobutanol, 1-(2-pyridinyl)-

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Batchno.20260207 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1202402-92-3
  • Purity/Analytical Methods: >99.0%
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1202402-92-3 / 1-pyridin-2-ylcyclobutan-1-ol

1-(pyridin-2-yl)cyclobutan-1-ol | RefChem:428519 | 976-862-5

Standard CAS: 1202402-92-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202402-92-3
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1CC(C1)(C2=CC=CC=N2)O
InChI
InChI=1S/C9H11NO/c11-9(5-3-6-9)8-4-1-2-7-10-8/h1-2,4,7,11H,3,5-6H2
InChIKey
KMJZWCDFXHFBQD-UHFFFAOYSA-N
Synonyms
1-(pyridin-2-yl)cyclobutan-1-ol RefChem:428519 976-862-5 1-(2-PYRIDINYL)CYCLOBUTANOL SCHEMBL536677

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.98
TPSA
33.12

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
0.7
Consensus LogP
1.14
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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