CAS RN: 646459-39-4
Etoricoxib Impurity 7
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.20250307 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS646459-39-4
- Purity/Analytical Methods: >99.0%
646459-39-4 / N,N-dimethyl-6-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
Basic Information
CAS
646459-39-4
Multi CAS
No
Molecular Formula
C20H21N3O2S
Molecular Weight
367.500000
Exact Mass
367.135448
InChI
InChI=1S/C20H21N3O2S/c1-14-5-6-16(12-21-14)20-19(11-17(13-22-20)23(2)3)15-7-9-18(10-8-15)26(4,24)25/h5-13H,1-4H3
InChIKey
MVGZGZDEQNNYMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
105.08
TPSA
63.16
LogP / Solubility
WLOGP
3.59
MLOGP
3.18
XLogP3
2.8
Consensus LogP
3.19
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41
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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