CAS RN: 607744-33-2
3-(4-broMophenyl)-1-Morpholinopropan-1-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS607744-33-2
- Purity/Analytical Methods: >99.0%
607744-33-2 / 3-(4-bromophenyl)-1-morpholin-4-ylpropan-1-one
Basic Information
CAS
607744-33-2
Multi CAS
No
Molecular Formula
BC13H16O2Rn
Molecular Weight
298.180000
Exact Mass
297.036440
InChI
InChI=1S/C13H16BrNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-2,4-5H,3,6-10H2
InChIKey
ISGMYOJQXRNSKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.86
TPSA
29.54
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
1.9
Consensus LogP
2.04
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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