![CAS 865488-44-4 Chloro(Mesitylene)[(1S,2S)-(+)-2-aMino-1,2-diphenylethyl(MethylsulfonylaMido)]rutheniuM(II) RuCl(Mesitylene)[(S,S)-MsDpen] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865488-44-4.gif)
CAS RN: 865488-44-4
Chloro(Mesitylene)[(1S,2S)-(+)-2-aMino-1,2-diphenylethyl(MethylsulfonylaMido)]rutheniuM(II) RuCl(Mesitylene)[(S,S)-MsDpen]
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.20250225 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS865488-44-4
- Purity/Analytical Methods: >99.0%
865488-44-4 / [(1S,2S)-2-amino-1,2-diphenylethyl]-methylsulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene
Basic Information
CAS
865488-44-4
Multi CAS
Yes
Molecular Formula
C24H29CLN2O2RUS
Molecular Weight
546.100000
Exact Mass
546.068167
InChI
InChI=1S/C15H17N2O2S.C9H12.ClH.Ru/c1-20(18,19)17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;1-7-4-8(2)6-9(3)5-7;;/h2-11,14-15H,16H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t14-,15-;;;/m0.../s1
InChIKey
IACBEXZXCYLFOG-CEHYLXJWSA-M
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
127.26
TPSA
74.26
LogP / Solubility
WLOGP
6.06
MLOGP
5.37
XLogP3
6.06
Consensus LogP
5.83
Log S (ESOL)
-7.14
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
3.5
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