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, 5g, 0.25g, 25g, 0.1g, 10g, 100g
- Available purity: >97%
- Inventory rows with stock: 14
- 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 | -- | 3 In Stock | Shanghai | Inquiry |
| 1g | >97% | 3 In Stock | Beijing | Inquiry |
| 5g | -- | 3 In Stock | Shanghai | Inquiry |
| 5g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 100g | -- | 1 In Stock | Shanghai | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
117846-56-7 / 2,3-dibromo-5,6-dimethylpyridine
2,3-Dibromo-5,6-dimethylpyridine | DTXSID60554059 | RefChem:441975
Basic Information
CAS
117846-56-7
Multi CAS
No
Molecular Formula
C7H7Br2N
Molecular Weight
264.940000
Exact Mass
264.892470
SMILES
CC1=CC(=C(N=C1C)Br)Br
InChI
InChI=1S/C7H7Br2N/c1-4-3-6(8)7(9)10-5(4)2/h3H,1-2H3
InChIKey
GQJNLDKZLUATAH-UHFFFAOYSA-N
Synonyms
2,3-Dibromo-5,6-dimethylpyridine
DTXSID60554059
RefChem:441975
DTXCID10504842
103-876-3
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
49.11
TPSA
12.89
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.3
Consensus LogP
3.12
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-2.05
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
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]
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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