 molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r0123-jpgcontextbwfzdgvyfhjvb3r8ndu4mtr8aw1hz2uvanblz3xootivadc3lzg5mzixotexmdkxntavujaxmjmuanbnfduxm2iwzdrlyta0yznknguyntk0njnmm2q0ndnlyjllngqzmdllyjhkzdvimgi5ytayowuynty3nzzhytlhotu.jpeg)
CAS RN: 1026995-71-0
RuCl[(R,R)-Fsdpen](p-cymene)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250408 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250724 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250527 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-004016
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1026995-71-0 / [(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene
RuCl[(R,R)-FsDPEN](p-cymene) | RuCl((R,R)-Fsdpen)(p-cymene) | RefChem:883961
Basic Information
CAS
1026995-71-0
Multi CAS
Yes
Molecular Formula
C30H28ClF5N2O2RuS
Molecular Weight
712.100000
Exact Mass
712.052358
SMILES
CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.Cl[Ru+]
InChI
InChI=1S/C20H14F5N2O2S.C10H14.ClH.Ru/c21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-8(2)10-6-4-9(3)5-7-10;;/h1-10,18-19H,26H2;4-8H,1-3H3;1H;/q-1;;;+2/p-1/t18-,19-;;;/m1.../s1
InChIKey
UWFMZLATRGEOIW-ZJPTYAPPSA-M
Synonyms
RuCl[(R,R)-FsDPEN](p-cymene)
RuCl((R,R)-Fsdpen)(p-cymene)
RefChem:883961
806-978-2
Ruthenium, [N-[(1R,2R)-2-(amino-kappaN)-1,2-diphenylethyl]-2,3,4,5,6-pentafluorobenzenesulfonamidato-kappaN]chloro[(1,2,3,4,5,6-eta)-1-methyl-4-(1-methylethyl)benzene]-
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
150.45
TPSA
74.26
LogP / Solubility
WLOGP
8.69
MLOGP
7.71
XLogP3
8.69
Consensus LogP
8.36
Log S (ESOL)
-9.69
Class (ESOL)
Insoluble
Log S (Ali)
-11.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.34
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)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H371 (50%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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