CAS RN: 1614262-83-7
NITD-916
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 1mg / 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1614262-83-7
- Purity/Analytical Methods: >99.0%
1614262-83-7 / 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
Basic Information
CAS
1614262-83-7
Multi CAS
No
Molecular Formula
C20H25NO2
Molecular Weight
311.400000
Exact Mass
311.188529
SMILES
CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
InChIKey
WKDRRKVUJLNFSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
93.61
TPSA
53.09
LogP / Solubility
WLOGP
4.51
MLOGP
3.98
XLogP3
4.9
Consensus LogP
4.46
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
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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