CAS RN: 1804885-53-7
Benzenamine, 3,5-difluoro-2-iodo-
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250630 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260210 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260505 | 10g | In stock | Tianjin | Inquiry | |
| Batchno.20251021 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250211 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260518 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1804885-53-7
- Purity/Analytical Methods: >99.0%
1804885-53-7 / 3,5-difluoro-2-iodoaniline
Basic Information
CAS
1804885-53-7
Multi CAS
No
Molecular Formula
C6H4F2IN
Molecular Weight
255.000000
Exact Mass
254.935650
SMILES
C1=C(C=C(C(=C1N)I)F)F
InChI
InChI=1S/C6H4F2IN/c7-3-1-4(8)6(9)5(10)2-3/h1-2H,10H2
InChIKey
PBWMLSAYIKCLGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.49
TPSA
26.02
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
