![CAS 944450-44-6 RuCl2[(S)-dm-segphos®][(S)-daipen] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r0128-jpgcontextbwfzdgvyfhjvb3r8mzq4ntf8aw1hz2uvanblz3xomjevadgylzg5mzixote0mzy4mzavujaxmjguanbnfdnkzjzlmznhmmu4mge0mje1zwi1zdbimmfhzjyzmgmwyzhkytrhmjc3owu0m2y0ntgwnte0nddizdu0mjyzmtg.jpeg)
CAS RN: 944450-44-6
RuCl2[(S)-dm-segphos®][(S)-daipen]
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 200mg | In stock | Shanghai | Inquiry |
- Product code: ICTR0128
944450-44-6 / [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium
Basic Information
CAS
944450-44-6
Multi CAS
Yes
Molecular Formula
C65H70CL2N2O6P2RU
Molecular Weight
1209.200000
Exact Mass
1208.312958
InChI
InChI=1S/C46H44O4P2.C19H26N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-24H,25-26H2,1-8H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.0.../s1
InChIKey
UDSABKQFPIPYOT-OGLOXHGMSA-L
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
48
Fraction Csp3
0.26
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
2
Molar refractivity
324.91
TPSA
107.42
LogP / Solubility
WLOGP
13.06
MLOGP
11.61
XLogP3
13.06
Consensus LogP
12.58
Log S (ESOL)
-15.16
Class (ESOL)
Insoluble
Log S (Ali)
-18.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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