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, 5g, 25g, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
1232431-48-9 / 5-bromo-2-methoxypyridin-4-amine
Basic Information
CAS
1232431-48-9
Multi CAS
No
Molecular Formula
C6H7BrN2O
Molecular Weight
203.040000
Exact Mass
201.974180
SMILES
COC1=NC=C(C(=C1)N)Br
InChI
InChI=1S/C6H7BrN2O/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3,(H2,8,9)
InChIKey
IMLRJDYBLVFLRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.9
TPSA
48.14
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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- CAS RN: 854214-59-8
- Product Code: SSC-193791
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![CAS 854214-59-8 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/854214-59-8.png)
