![CAS 69567-11-9 Piperidine,3,4,5-tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,(2R,3R,4R,5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69567-11-9.gif)
CAS RN: 69567-11-9
Piperidine,3,4,5-tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]-,(2R,3R,4R,5S)-
- Product code: SSC-179266
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 |
69567-11-9 / (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
Basic Information
CAS
69567-11-9
Multi CAS
Yes
Molecular Formula
C34H37NO4
Molecular Weight
523.700000
Exact Mass
523.272259
InChI
InChI=1S/C34H37NO4/c1-5-13-27(14-6-1)22-36-26-31-33(38-24-29-17-9-3-10-18-29)34(39-25-30-19-11-4-12-20-30)32(21-35-31)37-23-28-15-7-2-8-16-28/h1-20,31-35H,21-26H2/t31-,32+,33-,34-/m1/s1
InChIKey
HHIIDKLQTCPFQA-KMKAFXEASA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
1
Molar refractivity
152.95
TPSA
48.95
LogP / Solubility
WLOGP
5.93
MLOGP
5.26
XLogP3
5.2
Consensus LogP
5.46
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 69584-91-4 1,2-DIHYDRO-1′-METHYLSPIRO[3H-INDOLE-3,4′-PIPERIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69584-91-4.gif)
