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, 0.1g, 0.25g
- 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 |
|---|---|---|---|---|
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 1g | >95% | 4 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Beijing | Inquiry |
300670-29-5 / 4-bromo-N-(5-chloro-2-pyridinyl)benzamide
Basic Information
CAS
300670-29-5
Multi CAS
No
Molecular Formula
C12H8BRCLN2O
Molecular Weight
311.560000
Exact Mass
309.950850
InChI
InChI=1S/C12H8BrClN2O/c13-9-3-1-8(2-4-9)12(17)16-11-6-5-10(14)7-15-11/h1-7H,(H,15,16,17)
InChIKey
LJGMQDMQXJTEGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.34
TPSA
41.99
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
3.3
Consensus LogP
3.45
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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