CAS RN: 2562346-14-7
Mesdopetam L-tartrate salt
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.20260221 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2562346-14-7
- Purity/Analytical Methods: >99.0%
2562346-14-7 / (2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine
Basic Information
CAS
2562346-14-7
Multi CAS
No
Molecular Formula
C16H24FNO9S
Molecular Weight
425.400000
Exact Mass
425.115581
SMILES
CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C12H18FNO3S.C4H6O6/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16;5-1(3(7)8)2(6)4(9)10/h7-9,14H,3-6H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
RVVLSGZJNROIAK-LREBCSMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
5
Molar refractivity
95.45
TPSA
170.46
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.43
XLogP3
-0.51
Consensus LogP
-0.48
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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