CAS RN: 5553-32-2
ALLYL-(1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-YL)-AMINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250325 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5553-32-2
- Purity/Analytical Methods: >99.0%
5553-32-2 / 1,1-dioxo-N-prop-2-enylthiolan-3-amine
Basic Information
CAS
5553-32-2
Multi CAS
Yes
Molecular Formula
C7H13NO2S
Molecular Weight
175.250000
Exact Mass
175.066700
InChI
InChI=1S/C7H13NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h2,7-8H,1,3-6H2;1H
InChIKey
WKPLATIOZRZXOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.26
TPSA
46.17
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
Consensus LogP
-0.03
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
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)
-3.83
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
2
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