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CAS 1333981-84-2 (R,R)-Ts-DENEB® molecular structure lightbox
CAS RN: 1333981-84-2

(R,R)-Ts-DENEB®

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 50mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250203 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251227 1g In stock Shanghai Inquiry
Batchno.20250823 250mg In stock Shanghai Inquiry
Batchno.20250417 5g Out of stock Inquiry
  • Product code: SSC-040085
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: --
  • 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 1333981-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Shanghai Inquiry
5g -- 1 In Stock Hong Kong Inquiry

1333981-84-2 / chlororuthenium(1+);[(1R,2R)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide

Standard CAS: 1333981-84-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1333981-84-2
Multi CAS
No
Molecular Formula
C31H33ClN2O3RuS
Molecular Weight
650.200000
Exact Mass
650.094382
SMILES
CC1=CC=C(C=C1)COCCN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[N-]S(=O)(=O)C4=CC=C(C=C4)C.Cl[Ru+]
InChI
InChI=1S/C31H33N2O3S.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;/h3-20,30-32H,21-23H2,1-2H3;1H;/q-1;;+2/p-1/t30-,31-;;/m1../s1
InChIKey
INKUCOHLIHBSDN-ZAMYOOMVSA-M

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
154.78
TPSA
69.5

LogP / Solubility

WLOGP
7.34
MLOGP
6.51
XLogP3
7.34
Consensus LogP
7.06
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-10.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.42
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)
-1.47

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
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] H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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