CAS RN: 1000068-42-7
4-(4-bromo-2-fluorophenylsulfonyl)morpholine
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.20251011 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1000068-42-7
- Purity/Analytical Methods: >99.0%
1000068-42-7 / 4-(4-bromo-2-fluorophenyl)sulfonylmorpholine
1000068-42-7 | 4-((4-bromo-2-fluorophenyl)sulfonyl)morpholine | 4-(4-bromo-2-fluorophenylsulfonyl)morpholine
Basic Information
CAS
1000068-42-7
Multi CAS
No
Molecular Formula
C10H11BrFNO3S
Molecular Weight
324.170000
Exact Mass
322.962710
SMILES
C1COCCN1S(=O)(=O)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2
InChIKey
BQYQHCWRUSXGLN-UHFFFAOYSA-N
Synonyms
1000068-42-7
4-((4-bromo-2-fluorophenyl)sulfonyl)morpholine
4-(4-bromo-2-fluorophenylsulfonyl)morpholine
4-(4-bromo-2-fluorophenyl)sulfonylmorpholine
MFCD27392030
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.68
TPSA
46.61
LogP / Solubility
WLOGP
1.61
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-3.55
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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