![CAS 874754-28-6 4-[[4-(2-BROMOETHOXY)PHENYL]SULFONYL]MORPHOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1229226.gif)
CAS RN: 874754-28-6
4-[[4-(2-BROMOETHOXY)PHENYL]SULFONYL]MORPHOLINE
- Product code: SSC-197467
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
874754-28-6 / 4-[4-(2-bromoethoxy)phenyl]sulfonylmorpholine
Basic Information
CAS
874754-28-6
Multi CAS
No
Molecular Formula
BC12H16O4RnS
Molecular Weight
350.230000
Exact Mass
348.998340
InChI
InChI=1S/C12H16BrNO4S/c13-5-8-18-11-1-3-12(4-2-11)19(15,16)14-6-9-17-10-7-14/h1-4H,5-10H2
InChIKey
RNGPYGSMWJMZME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
75.31
TPSA
55.84
LogP / Solubility
WLOGP
1.48
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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