CAS RN: 1344632-02-5
(3S)-3-(3-BROMO-5-CHLOROPHENYL)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.20250419 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1344632-02-5
- Purity/Analytical Methods: >99.0%
1344632-02-5 / (3S)-3-(3-bromo-5-chlorophenyl)morpholine
Basic Information
CAS
1344632-02-5
Multi CAS
No
Molecular Formula
C10H11BrClNO
Molecular Weight
276.560000
Exact Mass
274.971250
SMILES
C1COC[C@@H](N1)C2=CC(=CC(=C2)Br)Cl
InChI
InChI=1S/C10H11BrClNO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2/t10-/m1/s1
InChIKey
PASYNHKFAFJRFY-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.71
TPSA
21.26
LogP / Solubility
WLOGP
2.76
MLOGP
2.44
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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