![CAS 93448-34-1 2-[(THIOPHEN-2-YLMETHYL)-AMINO]-ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93448-34-1.gif)
CAS RN: 93448-34-1
2-[(THIOPHEN-2-YLMETHYL)-AMINO]-ETHANOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS93448-34-1
- Purity/Analytical Methods: >99.0%
93448-34-1 / 2-(thiophen-2-ylmethylamino)ethanol
Basic Information
CAS
93448-34-1
Multi CAS
No
Molecular Formula
C7H11NOS
Molecular Weight
157.240000
Exact Mass
157.056135
InChI
InChI=1S/C7H11NOS/c9-4-3-8-6-7-2-1-5-10-7/h1-2,5,8-9H,3-4,6H2
InChIKey
LVERIHWIAUFVNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.11
TPSA
32.26
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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