CAS RN: 1076199-02-4
1-(4-Benzyloxyphenyl)-5-methyl-2(1H)-pyridone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260401 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1076199-02-4
- Purity/Analytical Methods: >99.0%
1076199-02-4 / 5-methyl-1-(4-phenylmethoxyphenyl)pyridin-2-one
1-(4-BENZYLOXYPHENYL)-5-METHYL-2(1H)-PYRIDONE | 5-methyl-1-(4-phenylmethoxyphenyl)pyridin-2-one | 1-[4-(benzyloxy)phenyl]-5-methyl-1,2-dihydropyridin-2-one
Basic Information
CAS
1076199-02-4
Multi CAS
No
Molecular Formula
C19H17NO2
Molecular Weight
291.300000
Exact Mass
291.125929
SMILES
CC1=CN(C(=O)C=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H17NO2/c1-15-7-12-19(21)20(13-15)17-8-10-18(11-9-17)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey
AIZOFIUTSSIOBR-UHFFFAOYSA-N
Synonyms
1-(4-BENZYLOXYPHENYL)-5-METHYL-2(1H)-PYRIDONE
5-methyl-1-(4-phenylmethoxyphenyl)pyridin-2-one
1-[4-(benzyloxy)phenyl]-5-methyl-1,2-dihydropyridin-2-one
5-Methyl-1-[4-(phenylmethoxy)phenyl]-2(1H)-pyridinone;
SCHEMBL10059366
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
87.55
TPSA
31.23
LogP / Solubility
WLOGP
3.72
MLOGP
3.29
XLogP3
3.3
Consensus LogP
3.44
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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