![CAS 935449-46-0 [NH2Me2][(RuCl((R)-dm-segphos®))2(μ-Cl)3] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n1023-jpgcontextbwfzdgvyfhjvb3r8mzmwmdv8aw1hz2uvanblz3xonjuvadbklzg5mze3ndcyotkzntgvtjewmjmuanbnfdq5yzi1mtq2mgy3mzmwzjfizdu4mty4ywewnzu3mmrimwjlnwvkmmmyn2rkmzi2mtrkmwm1zthmndjiowi5mzk.jpeg)
CAS RN: 935449-46-0
[NH2Me2][(RuCl((R)-dm-segphos®))2(μ-Cl)3]
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251127 | 200mg | In stock | Shanghai | Inquiry |
- Product code: ICTN1023
935449-46-0 / bis([4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane);dimethylazanium;bis(ruthenium(2+));pentachloride
Basic Information
CAS
935449-46-0
Multi CAS
Yes
Molecular Formula
C94H96CL5NO8P4RU2
Molecular Weight
1871.100000
Exact Mass
1874.263080
InChI
InChI=1S/2C46H44O4P2.C2H7N.5ClH.2Ru/c2*1-27-13-28(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;1-3-2;;;;;;;/h2*9-24H,25-26H2,1-8H3;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4
InChIKey
ICOHGSVVYSKYTD-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
114
Aromatic heavy atom count
72
Fraction Csp3
0.23
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
1
Molar refractivity
452.64
TPSA
90.45
LogP / Solubility
WLOGP
1.41
MLOGP
1.44
XLogP3
1.41
Consensus LogP
1.42
Log S (ESOL)
-11.87
Class (ESOL)
Insoluble
Log S (Ali)
-15.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-13.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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