![CAS 92836-37-8 3-(9-methoxy-7-phenethyl-7-azabicyclo[3.3.1]non-9-yl)phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92836-37-8.gif)
CAS RN: 92836-37-8
3-(9-methoxy-7-phenethyl-7-azabicyclo[3.3.1]non-9-yl)phenol
- Product code: SSC-206714
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 |
92836-37-8 / 3-[9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenol
Basic Information
CAS
92836-37-8
Multi CAS
Yes
Molecular Formula
C23H29NO2
Molecular Weight
351.500000
Exact Mass
351.219829
InChI
InChI=1S/C23H29NO2/c1-26-23(19-9-6-12-22(25)15-19)20-10-5-11-21(23)17-24(16-20)14-13-18-7-3-2-4-8-18/h2-4,6-9,12,15,20-21,25H,5,10-11,13-14,16-17H2,1H3
InChIKey
UXFOUDJIDGKJDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.21
TPSA
32.7
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
4.4
Consensus LogP
4.11
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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