CAS RN: 98769-84-7
Reboxetine mesylate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260507 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS98769-84-7
- Purity/Analytical Methods: >99.0%
98769-84-7 / (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
Basic Information
CAS
98769-84-7
Multi CAS
Yes
Molecular Formula
C20H27NO6S
Molecular Weight
409.500000
Exact Mass
409.155909
InChI
InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1
InChIKey
CGTZMJIMMUNLQD-STYNFMPRSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.5
TPSA
94.09
LogP / Solubility
WLOGP
2.7
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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