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CAS 1064-10-4 Hexaphenylditin(IV) molecular structure lightbox
CAS RN: 1064-10-4

Hexaphenylditin(IV)

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  • Product code: starshine_CAS1064-10-4
  • Purity/Analytical Methods: >99.0%
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1064-10-4 / Hexaphenylditin(IV)

Hexaphenyldistannane | 1,1,1,2,2,2-Hexaphenyldistannane | Hexaphenylditin

Standard CAS: 1064-10-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1064-10-4
Multi CAS
Yes
Molecular Formula
C36H30Sn2
Molecular Weight
700.000000
Exact Mass
700.038560
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/6C6H5.2Sn/c6*1-2-4-6-5-3-1;;/h6*1-5H;;
InChIKey
UAPQJVJCJITJET-UHFFFAOYSA-N
Synonyms
Hexaphenyldistannane 1,1,1,2,2,2-Hexaphenyldistannane Hexaphenylditin Distannane, hexaphenyl- 7MC26M1VE9

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
167.96
TPSA
0.0000

LogP / Solubility

WLOGP
4.41
MLOGP
3.94
XLogP3
4.41
Consensus LogP
4.25
Log S (ESOL)
-7.26
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (90.7%): Toxic if inhaled [Danger Acute toxicity, inhalation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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