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CAS 108-54-3 6-Methyl-5,6-dihydro-2H-pyran-2-one molecular structure lightbox
CAS RN: 108-54-3

6-Methyl-5,6-dihydro-2H-pyran-2-one

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2 package records0 with current stock1 grade group
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Batchno.20250430 100mg Out of stock Inquiry
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  • Product code: starshine_CAS108-54-3
  • Purity/Analytical Methods: >99.0%
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108-54-3 / 2-methyl-2,3-dihydropyran-6-one

6-Methyl-5,6-dihydro-2H-pyran-2-one | 5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE | DTXSID50871944

Standard CAS: 108-54-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108-54-3
Multi CAS
No
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
SMILES
CC1CC=CC(=O)O1
InChI
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3
InChIKey
DYNKRGCMLGUEMN-UHFFFAOYSA-N
Synonyms
6-Methyl-5,6-dihydro-2H-pyran-2-one 5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE DTXSID50871944 RefChem:543928 DTXCID00819553

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
29.31
TPSA
26.3

LogP / Solubility

WLOGP
0.88
MLOGP
0.76
XLogP3
1.1
Consensus LogP
0.91
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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