CAS RN: 67206-07-9
2-Acetamido-3-(thiophen-2-yl)propanoic acid
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.20250603 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67206-07-9
- Purity/Analytical Methods: >99.0%
67206-07-9 / 2-acetamido-3-thiophen-2-ylpropanoic acid
Basic Information
CAS
67206-07-9
Multi CAS
No
Molecular Formula
C9H11NO3S
Molecular Weight
213.260000
Exact Mass
213.045964
InChI
InChI=1S/C9H11NO3S/c1-6(11)10-8(9(12)13)5-7-3-2-4-14-7/h2-4,8H,5H2,1H3,(H,10,11)(H,12,13)
InChIKey
FSFVGPGABHYRPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.26
TPSA
66.4
LogP / Solubility
WLOGP
0.88
MLOGP
0.78
XLogP3
0.8
Consensus LogP
0.82
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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