CAS RN: 1016234-89-1
2-AMino-4-broMo-5-fluorophenol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-002454
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1016234-89-1 / 2-amino-4-bromo-5-fluorophenol
2-Amino-4-bromo-5-fluorophenol | DTXSID40653397 | RefChem:1062183
Basic Information
CAS
1016234-89-1
Multi CAS
Yes
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
C1=C(C(=CC(=C1Br)F)O)N
InChI
InChI=1S/C6H5BrFNO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
InChIKey
MGQHWQPZDBGSTR-UHFFFAOYSA-N
Synonyms
2-Amino-4-bromo-5-fluorophenol
DTXSID40653397
RefChem:1062183
DTXCID40604147
MFCD11101429
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.18
TPSA
46.25
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.64
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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