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CAS 97913-63-8 Chloro[(1,2,5,6H)-1,5-cyclooctadiene] (H5-2,4-Cyclopentadiene-1-yl) Ruthenium molecular structure lightbox
CAS RN: 97913-63-8

Chloro[(1,2,5,6H)-1,5-cyclooctadiene] (H5-2,4-Cyclopentadiene-1-yl) Ruthenium

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg In stock Shanghai Inquiry
Batchno.20250407 1g In stock Shanghai Inquiry
Batchno.20260218 250mg In stock Shanghai Inquiry
Batchno.20260527 50mg In stock Shanghai Inquiry
  • Product code: SSC-212399
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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 97913-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

97913-63-8 / chlororuthenium(1+);(5Z)-cycloocta-1,5-diene;cyclopenta-1,3-diene

Standard CAS: 97913-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97913-63-8
Multi CAS
No
Molecular Formula
C14H17LrU
Molecular Weight
309.800000
Exact Mass
310.006219
InChI
InChI=1S/C8H12.C5H5.ClH.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;;/h1-2,7-8H,3-6H2;1-5H;1H;/q;-1;;+2/p-1/b2-1-,8-7?;;;
InChIKey
WANMFRCGNGWOJM-PGUQZTAYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.31
H-bond acceptors
1
Molar refractivity
64.64
TPSA
0.0000

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
4.77
Consensus LogP
4.58
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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