CAS RN: 32418-99-8
3-AMINO-TETRAHYDRO-THIOPHENE-3-CARBOXYLIC 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.20250410 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS32418-99-8
- Purity/Analytical Methods: >99.0%
32418-99-8 / 3-aminothiolane-3-carboxylic acid
Basic Information
CAS
32418-99-8
Multi CAS
No
Molecular Formula
C5H9NO2S
Molecular Weight
147.200000
Exact Mass
147.035400
InChI
InChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)
InChIKey
SAKWWHXZZFRWCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.5
TPSA
63.32
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.09
XLogP3
-2.8
Consensus LogP
-0.99
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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