CAS RN: 805972-34-3
Metaxalone USP RC C
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.20250926 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS805972-34-3
- Purity/Analytical Methods: >99.0%
805972-34-3 / 1-(3,5-dimethylphenoxy)-3-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
Basic Information
CAS
805972-34-3
Multi CAS
No
Molecular Formula
C22H31NO4
Molecular Weight
373.500000
Exact Mass
373.225308
InChI
InChI=1S/C22H31NO4/c1-15-5-16(2)8-21(7-15)26-13-19(24)11-23-12-20(25)14-27-22-9-17(3)6-18(4)10-22/h5-10,19-20,23-25H,11-14H2,1-4H3
InChIKey
QEWKNJWBRBAQEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
107.71
TPSA
70.95
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
3.4
Consensus LogP
2.83
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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