CAS RN: 6639-55-0
N-(2,5-dichlorophenyl)formamide
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.20250220 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6639-55-0
- Purity/Analytical Methods: >99.0%
6639-55-0 / N-(2,5-dichlorophenyl)formamide
Basic Information
CAS
6639-55-0
Multi CAS
Yes
Molecular Formula
C7H5CL2NO
Molecular Weight
190.020000
Exact Mass
188.974819
InChI
InChI=1S/C7H5Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-4H,(H,10,11)
InChIKey
JTBVPDCDRKNIFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.15
TPSA
29.1
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.34
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.06
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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