Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 511-45-5
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
-- |
5
In Stock
|
Beijing |
Inquiry |
| 0.1g |
>95% |
5
In Stock
|
Beijing |
Inquiry |
| 0.25g |
-- |
5
In Stock
|
Beijing |
Inquiry |
| 0.25g |
>95% |
5
In Stock
|
Shanghai |
Inquiry |
| 1g |
-- |
5
In Stock
|
Shenzhen |
Inquiry |
| 1g |
>95% |
5
In Stock
|
Hong Kong |
Inquiry |
| 5g |
-- |
5
In Stock
|
Shenzhen |
Inquiry |
| 5g |
>95% |
5
In Stock
|
Beijing |
Inquiry |
511-45-5 / 1,1-diphenyl-3-piperidin-1-ylpropan-1-ol
Standard CAS: 511-45-5
Multi CAS: Yes
Basic Information
CAS
511-45-5
Multi CAS
Yes
Molecular Formula
C20H25NO
Molecular Weight
295.400000
Exact Mass
295.193614
InChI
InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2
InChIKey
RQXCLMGKHJWMOA-UHFFFAOYSA-N
Physical Properties
Melting Point
120-121 °C
Appearance
Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
90.79
TPSA
23.47
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
3.8
Consensus LogP
3.65
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5