CAS RN: 6007-55-2
4-THIOMORPHOLINE ACETIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260112 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS6007-55-2
- Purity/Analytical Methods: >99.0%
6007-55-2 / 2-thiomorpholin-4-ylacetic acid
Basic Information
CAS
6007-55-2
Multi CAS
Yes
Molecular Formula
C6H11NO2S
Molecular Weight
161.220000
Exact Mass
161.051050
InChI
InChI=1S/C6H11NO2S/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
InChIKey
ZAWRBDOBSINDEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.4
TPSA
40.54
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
-2
Consensus LogP
-0.59
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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