CAS RN: 93493-65-3
N-(6-Chloro-3-pyridinyl)-2,2-dimethylpropanamide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93493-65-3
- Purity/Analytical Methods: >99.0%
93493-65-3 / N-(6-chloro-3-pyridinyl)-2,2-dimethylpropanamide
Basic Information
CAS
93493-65-3
Multi CAS
No
Molecular Formula
C10H13CLN2O
Molecular Weight
212.670000
Exact Mass
212.071641
InChI
InChI=1S/C10H13ClN2O/c1-10(2,3)9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKey
LNXOCHLCWOTGJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.33
TPSA
41.99
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.4
Consensus LogP
2.5
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.09
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
1.5
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