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CAS 14099-01-5 RHENIUM PENTACARBONYL CHLORIDE molecular structure lightbox
CAS RN: 14099-01-5

RHENIUM PENTACARBONYL CHLORIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100mg In stock Shanghai Inquiry
Batchno.20250726 100mg / 500mg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250217 1g In stock Shanghai Inquiry
Batchno.20251102 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14099-01-5
  • Purity/Analytical Methods: >99.0%
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14099-01-5 / carbon monoxide;chlororhenium

Standard CAS: 14099-01-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14099-01-5
Multi CAS
No
Molecular Formula
C5ClO5Re
Molecular Weight
361.710000
Exact Mass
361.899178
SMILES
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re]
InChI
InChI=1S/5CO.ClH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
InChIKey
JQUUAHKBIXPQAP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
H-bond acceptors
5
Molar refractivity
25.5
TPSA
99.5

LogP / Solubility

WLOGP
0.5
MLOGP
0.46
XLogP3
0.5
Consensus LogP
0.49
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (88.6%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (97.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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