CAS RN: 186249-74-1
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
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.20260507 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS186249-74-1
- Purity/Analytical Methods: >99.0%
186249-74-1 / (S)-N-benzylidene-2-methylpropane-2-sulfinamide
Basic Information
CAS
186249-74-1
Multi CAS
No
Molecular Formula
C11H15NOS
Molecular Weight
209.310000
Exact Mass
209.087435
SMILES
CC(C)(C)[S@](=O)N=CC1=CC=CC=C1
InChI
InChI=1S/C11H15NOS/c1-11(2,3)14(13)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+/t14-/m0/s1
InChIKey
KHEXSXPVKHWNOZ-TZIYXEQSSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.93
TPSA
29.43
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
2
Consensus LogP
2.28
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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