CAS RN: 10050-08-5
Tri-o-tolylbismuthine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-001082
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
10050-08-5 / tris(2-methylphenyl)bismuthane
Tri-o-tolylbismuthine | DTXSID70450290 | RefChem:385736
Basic Information
CAS
10050-08-5
Multi CAS
Yes
Molecular Formula
C21H21Bi
Molecular Weight
482.400000
Exact Mass
482.144720
SMILES
CC1=CC=CC=C1[Bi](C2=CC=CC=C2C)C3=CC=CC=C3C
InChI
InChI=1S/3C7H7.Bi/c3*1-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKey
DWIMJCTYUMGECA-UHFFFAOYSA-N
Synonyms
Tri-o-tolylbismuthine
DTXSID70450290
RefChem:385736
DTXCID60401110
Tris(2-methylphenyl)bismuthane
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
Molar refractivity
98.19
TPSA
0.0000
LogP / Solubility
WLOGP
3.13
MLOGP
2.79
XLogP3
3.13
Consensus LogP
3.02
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
