CAS RN: 115900-75-9
1,2-diethyl-3-hydroxypyridin-4-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS115900-75-9
- Purity/Analytical Methods: >99.0%
115900-75-9 / 1,2-diethyl-3-hydroxypyridin-4-one
1,2-Diethyl-3-hydroxypyridin-4-one | CP94 | Diethyl hydroxypyridinone
Basic Information
CAS
115900-75-9
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
CCC1=C(C(=O)C=CN1CC)O
InChI
InChI=1S/C9H13NO2/c1-3-7-9(12)8(11)5-6-10(7)4-2/h5-6,12H,3-4H2,1-2H3
InChIKey
XIYFEESCIBNMIC-UHFFFAOYSA-N
Synonyms
1,2-Diethyl-3-hydroxypyridin-4-one
CP94
Diethyl hydroxypyridinone
4(1H)-Pyridinone, 1,2-diethyl-3-hydroxy-
CGP 46700
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.42
TPSA
42.23
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.3
Consensus LogP
1.15
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.93
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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