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CAS 1014701-61-1 Umicore M52 molecular structure lightbox
CAS RN: 1014701-61-1

Umicore M52

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 100mg In stock Shanghai Inquiry
Batchno.20250506 1g In stock Shanghai Inquiry
Batchno.20260117 250mg In stock Shanghai Inquiry
Batchno.20250721 50mg In stock Shanghai Inquiry
  • Product code: SSC-002307
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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: 1g
  • 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 1014701-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1014701-61-1 / [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[[2-(2-oxopropoxy)phenyl]methylidene]ruthenium

SCHEMBL16390545 | Dichloro(1,3-dimesitylimidazolidin-2-ylidene)(2-(2-oxopropoxy)benzylidene)ruthenate(II) | [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-[2-oxopropoxy]phenyl]methylene]ruthenium

Standard CAS: 1014701-61-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1014701-61-1
Multi CAS
Yes
Molecular Formula
C31H36Cl2N2O2Ru
Molecular Weight
640.600000
Exact Mass
640.119724
SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3OCC(=O)C)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C
InChI
InChI=1S/C21H26N2.C10H10O2.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-8-5-3-4-6-10(8)12-7-9(2)11;;;/h9-12H,7-8H2,1-6H3;1,3-6H,7H2,2H3;2*1H;/q;;;;+2/p-2
InChIKey
RVNJPEPUZHRSCV-UHFFFAOYSA-L
Synonyms
SCHEMBL16390545 Dichloro(1,3-dimesitylimidazolidin-2-ylidene)(2-(2-oxopropoxy)benzylidene)ruthenate(II) [1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[[2-[2-oxopropoxy]phenyl]methylene]ruthenium DB-124614 C13992

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
160.49
TPSA
32.78

LogP / Solubility

WLOGP
7.23
MLOGP
6.42
XLogP3
7.23
Consensus LogP
6.96
Log S (ESOL)
-8.32
Class (ESOL)
Insoluble
Log S (Ali)
-10.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.55
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)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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