CAS RN: 90254-20-9
4-(4-Bromophenyl)Thiomorpholine
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.20260524 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90254-20-9
- Purity/Analytical Methods: >99.0%
90254-20-9 / 4-(4-bromophenyl)thiomorpholine
Basic Information
CAS
90254-20-9
Multi CAS
No
Molecular Formula
BC10H12RnS
Molecular Weight
258.180000
Exact Mass
256.987380
InChI
InChI=1S/C10H12BrNS/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKey
SMSIAAFKDDBYSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
63.68
TPSA
3.24
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3.2
Consensus LogP
2.95
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.16
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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