CAS RN: 19422-76-5
3-chloro-N-(2-methylphenyl)propanamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS19422-76-5
- Purity/Analytical Methods: >99.0%
19422-76-5 / 3-chloro-N-(2-methylphenyl)propanamide
Basic Information
CAS
19422-76-5
Multi CAS
No
Molecular Formula
C10H12ClNO
Molecular Weight
197.660000
Exact Mass
197.060742
SMILES
CC1=CC=CC=C1NC(=O)CCCl
InChI
InChI=1S/C10H12ClNO/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
GOWBOXSTKDXKSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.15
TPSA
29.1
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
1.4
Consensus LogP
2.07
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.11
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
1.5
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