Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
502496-26-6 / (2,6-difluoroanilino)azanium chloride
Basic Information
CAS
502496-26-6
Multi CAS
Yes
Molecular Formula
C6H7CLF2N2
Molecular Weight
180.580000
Exact Mass
180.026582
InChI
InChI=1S/C6H6F2N2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
InChIKey
RSOSGLCEIHAGQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
32.87
TPSA
39.67
LogP / Solubility
WLOGP
-2.46
MLOGP
-2.17
XLogP3
-2.46
Consensus LogP
-2.36
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.74
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.57
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
