CAS RN: 273735-64-1
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-126550
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
273735-64-1 / 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
Basic Information
CAS
273735-64-1
Multi CAS
No
Molecular Formula
C9H4Cl2F7N
Molecular Weight
330.030000
Exact Mass
328.960902
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H4Cl2F7N/c10-4-1-3(2-5(11)6(4)19)7(12,8(13,14)15)9(16,17)18/h1-2H,19H2
InChIKey
NXWRKJGSRUCYEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.77
TPSA
26.02
LogP / Solubility
WLOGP
4.87
MLOGP
4.3
XLogP3
4.7
Consensus LogP
4.62
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
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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