[email protected]
CAS 103694-84-4 CARDIO-SPECT molecular structure lightbox
CAS RN: 103694-84-4

CARDIO-SPECT

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 100mg In stock Shanghai Inquiry
Batchno.20250714 1g In stock Shanghai Inquiry
Batchno.20251019 250mg In stock Shanghai Inquiry
Batchno.20250806 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS103694-84-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

103694-84-4 / copper(1+);tetrakis(1-isocyano-2-methoxy-2-methylpropane);tetrafluoroborate

Cardio-Spect | tetrakis(2-methoxyisobutylisocyanide)copper(i) tetrafluoroborate | CARDIOSPECT

Standard CAS: 103694-84-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103694-84-4
Multi CAS
Yes
Molecular Formula
C24H44BCuF4N4O4
Molecular Weight
603.000000
Exact Mass
602.268771
SMILES
[B-](F)(F)(F)F.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.CC(C)(C[N+]#[C-])OC.[Cu+]
InChI
InChI=1S/4C6H11NO.BF4.Cu/c4*1-6(2,8-4)5-7-3;2-1(3,4)5;/h4*5H2,1-2,4H3;;/q;;;;-1;+1
InChIKey
WJRFSUVOHUMYAO-UHFFFAOYSA-N
Synonyms
Cardio-Spect tetrakis(2-methoxyisobutylisocyanide)copper(i) tetrafluoroborate CARDIOSPECT N6OU7HJ70P TETRAKIS(2-METHOXYISOBUTYLISONITRIL)COPPER (I) TETRAFLUOROBORATE

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
140.41
TPSA
54.36

LogP / Solubility

WLOGP
6.62
MLOGP
5.87
XLogP3
6.62
Consensus LogP
6.37
Log S (ESOL)
-7.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
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)
-1.7

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.5%): 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] H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us