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 | Shanghai | Inquiry |
34822-90-7 / cyclopenta-2,4-dien-1-ylthallium
Basic Information
CAS
34822-90-7
Multi CAS
Yes
Molecular Formula
C5H5Tl
Molecular Weight
269.480000
Exact Mass
270.013550
InChI
InChI=1S/C5H5.Tl/c1-2-4-5-3-1;/h1-5H;
InChIKey
RKLJDPOVAWGBSD-UHFFFAOYSA-N
Physical Properties
Physical Description
Light yellow powder; Insoluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.2
Molar refractivity
27.78
TPSA
0.0000
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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