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CAS 1384974-37-1 (S,S)-Ts-DENEB® molecular structure lightbox
CAS RN: 1384974-37-1

(S,S)-Ts-DENEB®

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 100mg In stock Shanghai Inquiry
Batchno.20250613 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 100mg In stock Shanghai Inquiry
Batchno.20260526 1g In stock Shanghai Inquiry
Batchno.20250627 250mg In stock Shanghai Inquiry
  • Product code: SSC-048499
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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, 10g
  • Available purity: ≥97%
  • 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 1384974-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

1384974-37-1 / chlororuthenium(1+);[(1S,2S)-2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide

Standard CAS: 1384974-37-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1384974-37-1
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-;;/m0../s1
InChIKey
INKUCOHLIHBSDN-YBZGWEFGSA-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] H336 (50%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] 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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