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CAS 625082-83-9 Grela 1st Generation molecular structure lightbox
CAS RN: 625082-83-9

Grela 1st Generation

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-171701
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 625082-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shanghai Inquiry

625082-83-9 / dichloro-[(5-nitro-2-propan-2-yloxyphenyl)methylidene]ruthenium;tricyclohexylphosphane

Standard CAS: 625082-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
625082-83-9
Multi CAS
Yes
Molecular Formula
C28H44CL2NO3PRU
Molecular Weight
645.600000
Exact Mass
645.147927
InChI
InChI=1S/C18H33P.C10H11NO3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2)14-10-5-4-9(11(12)13)6-8(10)3;;;/h16-18H,1-15H2;3-7H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKey
YMAYSMFZSHFDGA-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
153.27
TPSA
52.37

LogP / Solubility

WLOGP
9.92
MLOGP
8.79
XLogP3
9.92
Consensus LogP
9.54
Log S (ESOL)
-9.76
Class (ESOL)
Insoluble
Log S (Ali)
-12.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.39

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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