CAS RN: 67639-41-2
4-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN HYDROCHLORIDE
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.20251012 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS67639-41-2
- Purity/Analytical Methods: >99.0%
67639-41-2 / 4-aminothiane-4-carboxylic acid;hydrochloride
Basic Information
CAS
67639-41-2
Multi CAS
Yes
Molecular Formula
C6H12CLNO2S
Molecular Weight
197.680000
Exact Mass
197.027728
InChI
InChI=1S/C6H11NO2S.ClH/c7-6(5(8)9)1-3-10-4-2-6;/h1-4,7H2,(H,8,9);1H
InChIKey
XALTWSZOXHORRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.36
TPSA
63.32
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.42
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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