CAS RN: 1277-47-0
Bis(cyclopentadienyl)vanadium, sublimed
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-035176
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 | Shenzhen | Inquiry |
1277-47-0 / bis(cyclopenta-1,3-diene);vanadium(2+)
Basic Information
CAS
1277-47-0
Multi CAS
No
Molecular Formula
C10H10V
Molecular Weight
181.130000
Exact Mass
181.022208
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[V+2]
InChI
InChI=1S/2C5H5.V/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey
YXQWGVLNDXNSJJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Violet crystalline solid; Insoluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
44.07
TPSA
0.0000
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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