CAS RN: 551950-44-8
N-(3-TERT-BUTYLSULFANYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS551950-44-8
- Purity/Analytical Methods: >99.0%
551950-44-8 / N-(3-tert-butylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide
Basic Information
CAS
551950-44-8
Multi CAS
No
Molecular Formula
C14H22N2OS
Molecular Weight
266.400000
Exact Mass
266.145285
InChI
InChI=1S/C14H22N2OS/c1-13(2,3)12(17)16-11-10(8-7-9-15-11)18-14(4,5)6/h7-9H,1-6H3,(H,15,16,17)
InChIKey
YAEGKCCMYHKSKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.93
TPSA
41.99
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
3.3
Consensus LogP
3.58
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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