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 |
62669-65-2 / barium(2+);bis(4-cyclohexylbutanoate)
Basic Information
CAS
62669-65-2
Multi CAS
Yes
Molecular Formula
C20H34BAO4
Molecular Weight
475.800000
Exact Mass
476.150957
InChI
InChI=1S/2C10H18O2.Ba/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);/q;;+2/p-2
InChIKey
NFAVTTVOXXCARJ-UHFFFAOYSA-L
Physical Properties
Physical Description
White powder; Insoluble in water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.9
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
96.62
TPSA
80.26
LogP / Solubility
WLOGP
2.59
MLOGP
2.31
XLogP3
2.59
Consensus LogP
2.5
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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