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CAS 1026995-72-1 RuCl[(S,S)-Fsdpen](p-cymene) molecular structure lightbox
CAS RN: 1026995-72-1

RuCl[(S,S)-Fsdpen](p-cymene)

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260507 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260315 1g In stock Shanghai Inquiry
Batchno.20260113 250mg In stock Shanghai Inquiry
Batchno.20250817 5g In stock Shanghai Inquiry
  • Product code: SSC-004017
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1026995-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1026995-72-1 / [(1S,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride

RuCl[(S,S)-FsDPEN](p-cymene) | RuCl((S,S)-Fsdpen)(p-cymene) | (N-((1S,2S)-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)ruthenium

Standard CAS: 1026995-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1026995-72-1
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+2]
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-;;;/m0.../s1
InChIKey
UWFMZLATRGEOIW-NWMPYMMKSA-M
Synonyms
RuCl[(S,S)-FsDPEN](p-cymene) RuCl((S,S)-Fsdpen)(p-cymene) (N-((1S,2S)-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)ruthenium [N-[(1S,2S)-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]ruthenium RefChem:883962

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
144.6
TPSA
74.26

LogP / Solubility

WLOGP
5.01
MLOGP
4.47
XLogP3
5.01
Consensus LogP
4.83
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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