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CAS 1333981-86-4 Ru-(R,R)-Ms-DENEB molecular structure lightbox
CAS RN: 1333981-86-4

Ru-(R,R)-Ms-DENEB

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-040086
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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: 0.1g, 0.25g, 1g
  • 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 1333981-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1333981-86-4 / chlororuthenium(2+);[2-[2-[(4-methylphenyl)methoxy]ethylamino]-1,2-diphenylethyl]-methylsulfonylazanide

Standard CAS: 1333981-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333981-86-4
Multi CAS
No
Molecular Formula
C25H29ClN2O3RuS+
Molecular Weight
574.100000
Exact Mass
574.063082
SMILES
CC1=CC=C(C=C1)COCCNC(C2=CC=CC=C2)C(C3=CC=CC=C3)[N-]S(=O)(=O)C.Cl[Ru+2]
InChI
InChI=1S/C25H29N2O3S.ClH.Ru/c1-20-13-15-21(16-14-20)19-30-18-17-26-24(22-9-5-3-6-10-22)25(27-31(2,28)29)23-11-7-4-8-12-23;;/h3-16,24-26H,17-19H2,1-2H3;1H;/q-1;;+3/p-1
InChIKey
BCVCMTQLLURTJX-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
131.26
TPSA
69.5

LogP / Solubility

WLOGP
5.6
MLOGP
4.98
XLogP3
5.6
Consensus LogP
5.39
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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