CAS RN: 936342-91-5
5-BroMo-2-(chloroMethyl)pyridine hydrochloride
- Product code: SSC-207972
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, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 12
- 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 | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Shenzhen | Inquiry |
936342-91-5 / 5-bromo-2-(chloromethyl)pyridine;hydrochloride
Basic Information
CAS
936342-91-5
Multi CAS
No
Molecular Formula
C6H6BRCL2N
Molecular Weight
242.930000
Exact Mass
240.906070
InChI
InChI=1S/C6H5BrClN.ClH/c7-5-1-2-6(3-8)9-4-5;/h1-2,4H,3H2;1H
InChIKey
YDXPFHGVFYBITC-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
1
H-bond donors
1
Molar refractivity
48.74
TPSA
12.89
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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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