CAS RN: 99585-98-5
3-CHLORO-N-(3-CHLOROPHENYL)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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260408 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS99585-98-5
- Purity/Analytical Methods: >99.0%
99585-98-5 / 3-chloro-N-(3-chlorophenyl)propanamide
Basic Information
CAS
99585-98-5
Multi CAS
Yes
Molecular Formula
C9H9CL2NO
Molecular Weight
218.080000
Exact Mass
217.006119
InChI
InChI=1S/C9H9Cl2NO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChIKey
PPDCJGYLZPSGAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.42
TPSA
29.1
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.99
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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