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CAS 174813-82-2 RuCl[(R,R)-Tsdpen](mesitylene) molecular structure lightbox
CAS RN: 174813-82-2

RuCl[(R,R)-Tsdpen](mesitylene)

Product Availability

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8 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 1g Out of stock Inquiry
Batchno.20260330 200mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg In stock Shanghai Inquiry
Batchno.20260407 1g In stock Shanghai, Wuhan Inquiry
Batchno.20251003 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260608 25g Out of stock Inquiry
Batchno.20251208 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-076682
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 174813-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Hong Kong Inquiry
5g >95% 4 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry

174813-82-2 / [(1R,2R)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene

Standard CAS: 174813-82-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174813-82-2
Multi CAS
No
Molecular Formula
C30H33ClN2O2RuS
Molecular Weight
622.200000
Exact Mass
622.099467
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[N-][C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N.CC1=CC(=CC(=C1)C)C.Cl[Ru+]
InChI
InChI=1S/C21H21N2O2S.C9H12.ClH.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-4-8(2)6-9(3)5-7;;/h2-15,20-21H,22H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t20-,21-;;;/m1.../s1
InChIKey
XBNBOGZUDCYNOJ-AGEKDOICSA-M

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
150.78
TPSA
74.26

LogP / Solubility

WLOGP
7.8
MLOGP
6.91
XLogP3
7.8
Consensus LogP
7.5
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.9
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)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P203, P260, P264, P270, P280, P308+P316, P318, P405, and P501

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