CAS RN: 69819-40-5
2,4-Dichloro-N-(5-nitro-2-thiazolyl)benzamide
- Product code: SSC-179597
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, 25g, 5g, 0.1g, 0.25g
- Available purity: ≥95%
- 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 | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
69819-40-5 / 2,4-dichloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Basic Information
CAS
69819-40-5
Multi CAS
No
Molecular Formula
C10H5CL2N3O3S
Molecular Weight
318.140000
Exact Mass
316.942868
InChI
InChI=1S/C10H5Cl2N3O3S/c11-5-1-2-6(7(12)3-5)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16)
InChIKey
BIWKBRGZFWTUPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.18
TPSA
85.13
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
4.2
Consensus LogP
3.67
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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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