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 | Beijing | Inquiry |
85722-06-1 / hafnium(4+);bis(1-propylcyclopenta-1,3-diene);dichloride
Basic Information
CAS
85722-06-1
Multi CAS
Yes
Molecular Formula
C16H22CL2HF
Molecular Weight
463.700000
Exact Mass
464.056420
InChI
InChI=1S/2C8H11.2ClH.Hf/c2*1-2-5-8-6-3-4-7-8;;;/h2*3-4,6-7H,2,5H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKey
UQWWTMGDSKPUTB-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
72.06
TPSA
0.0000
LogP / Solubility
WLOGP
-1.28
MLOGP
-1.09
XLogP3
-1.28
Consensus LogP
-1.22
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 12129-06-5
- Product Code: SSC-023121
