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: 5g, 10g, 25g, 1g, 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 |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
5323-47-7 / N,N-diethyl-4-nitrobenzamide
Basic Information
CAS
5323-47-7
Multi CAS
Yes
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
InChI
InChI=1S/C11H14N2O3/c1-3-12(4-2)11(14)9-5-7-10(8-6-9)13(15)16/h5-8H,3-4H2,1-2H3
InChIKey
JLZWKZDHHREXTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
60.35
TPSA
63.45
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.1
Consensus LogP
1.67
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-2.6
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
Customers Also Viewed
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QUINOLINE-2,4-DICARBOXYLIC ACID
- CAS RN: 5323-57-9
- Product Code: starshine_CAS5323-57-9
- Purity/Analytical method: >99.0%
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