[email protected]
CAS 887479-63-2 Etoricoxib Impurity 38 molecular structure lightbox
CAS RN: 887479-63-2

Etoricoxib Impurity 38

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS887479-63-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

887479-63-2 / 2-(4-methylsulfanylphenyl)-1-morpholin-4-ylethanone

Standard CAS: 887479-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887479-63-2
Multi CAS
No
Molecular Formula
C13H17NO2S
Molecular Weight
251.350000
Exact Mass
251.098000
InChI
InChI=1S/C13H17NO2S/c1-17-12-4-2-11(3-5-12)10-13(15)14-6-8-16-9-7-14/h2-5H,6-10H2,1H3
InChIKey
BAAARGQZZFHQFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.33
TPSA
29.54

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us