![CAS 920802-43-3 Morpholine, 2-(4-bromophenyl)-4-[(1S)-1-phenylethyl]-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/920802-43-3.gif)
CAS RN: 920802-43-3
Morpholine, 2-(4-bromophenyl)-4-[(1S)-1-phenylethyl]-, (2R)-
- Product code: SSC-205658
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 | Shanghai | Inquiry |
920802-43-3 / (2R)-2-(4-bromophenyl)-4-[(1S)-1-phenylethyl]morpholine
Basic Information
CAS
920802-43-3
Multi CAS
Yes
Molecular Formula
BC18H20ORn
Molecular Weight
346.300000
Exact Mass
345.072830
InChI
InChI=1S/C18H20BrNO/c1-14(15-5-3-2-4-6-15)20-11-12-21-18(13-20)16-7-9-17(19)10-8-16/h2-10,14,18H,11-13H2,1H3/t14-,18-/m0/s1
InChIKey
YWMUEQLXCPKKRF-KSSFIOAISA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
89.27
TPSA
12.47
LogP / Solubility
WLOGP
4.58
MLOGP
4.05
XLogP3
4.1
Consensus LogP
4.24
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
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
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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