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CAS 1295649-40-9 Ru-MACHO® (contains 5% Toluene at maximum) molecular structure lightbox
CAS RN: 1295649-40-9

Ru-MACHO® (contains 5% Toluene at maximum)

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100mg In stock Shanghai Inquiry
Batchno.20260608 1g In stock Shanghai Inquiry
Batchno.20260320 250mg In stock Shanghai Inquiry
  • Product code: SSC-036522
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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: ＞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 1295649-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1295649-40-9 / carbon monoxide;2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine;hydride;ruthenium(2+);chloride

Standard CAS: 1295649-40-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1295649-40-9
Multi CAS
No
Molecular Formula
C29H30ClNOP2Ru
Molecular Weight
607.000000
Exact Mass
607.053457
SMILES
[H-].[C-]#[O+].C1=CC=C(C=C1)P(CCNCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Ru+2]
InChI
InChI=1S/C28H29NP2.CO.ClH.Ru.H/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2;;;/h1-20,29H,21-24H2;;1H;;/q;;;+2;-1/p-1
InChIKey
AKLZFUOZPWNQJJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
145.79
TPSA
31.93

LogP / Solubility

WLOGP
1.92
MLOGP
1.74
XLogP3
1.92
Consensus LogP
1.86
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H371 (33.3%): May cause damage to organs [Warning Specific target organ toxicity, single exposure] H373 (33.3%): 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, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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