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: 1g, 10g, 0.25g, 0.1g, 5g, 25g, 100g, 1000g
- Available purity: >95%
- Inventory rows with stock: 13
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 100g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
1037364-36-5 / 2-amino-5-bromo-4-fluorophenol
2-amino-5-bromo-4-fluorophenol | RefChem:464519 | 889-052-0
Basic Information
CAS
1037364-36-5
Multi CAS
No
Molecular Formula
C6H5BrFNO
Molecular Weight
206.010000
Exact Mass
204.953850
SMILES
C1=C(C(=CC(=C1F)Br)O)N
InChI
InChI=1S/C6H5BrFNO/c7-3-1-6(10)5(9)2-4(3)8/h1-2,10H,9H2
InChIKey
QRRYTSCZSPPVQQ-UHFFFAOYSA-N
Synonyms
2-amino-5-bromo-4-fluorophenol
RefChem:464519
889-052-0
MFCD24640741
4-Bromo-5-fluoro-2-hydroxyaniline
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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