CAS RN: 2090537-38-3
Benzenamine, 3-bromo-5-fluoro-4-iodo-
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-098536
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2090537-38-3 / 3-bromo-5-fluoro-4-iodoaniline
Basic Information
CAS
2090537-38-3
Multi CAS
No
Molecular Formula
C6H4BrFIN
Molecular Weight
315.910000
Exact Mass
314.855590
SMILES
C1=C(C=C(C(=C1F)I)Br)N
InChI
InChI=1S/C6H4BrFIN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey
QBZSDQPAVVBXBH-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
51.23
TPSA
26.02
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
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
Customers Also Viewed
-
-
-
-
-
-
methyl 4-(hydroxymethyl)bicyclo[2.1.1]hexane-1-carboxylate
- CAS RN: 2090676-64-3
- Product Code: SSC-098560
![CAS 2090676-64-3 methyl 4-(hydroxymethyl)bicyclo[2.1.1]hexane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2090676-64-3.png)