![CAS 92924-45-3 (3S,4S,6R)-5-{2-Oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}-N-(prop-2-en-1-yl)pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92924-45-3.gif)
CAS RN: 92924-45-3
(3S,4S,6R)-5-{2-Oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}-N-(prop-2-en-1-yl)pentanamide
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.20260515 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS92924-45-3
- Purity/Analytical Methods: >99.0%
92924-45-3 / 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)-N-prop-2-enylpentanamide
Basic Information
CAS
92924-45-3
Multi CAS
Yes
Molecular Formula
C13H21N3O2S
Molecular Weight
283.390000
Exact Mass
283.135448
InChI
InChI=1S/C13H21N3O2S/c1-2-7-14-11(17)6-4-3-5-10-12-9(8-19-10)15-13(18)16-12/h2,9-10,12H,1,3-8H2,(H,14,17)(H2,15,16,18)/t9-,10-,12-/m0/s1
InChIKey
XPFAEVOBABXHBW-NHCYSSNCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.69
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
77.16
TPSA
70.23
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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