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, 10g, 25g, 0.25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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% | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
914348-35-9 / 1,2-difluoro-3-methyl-4-nitrobenzene
Basic Information
CAS
914348-35-9
Multi CAS
No
Molecular Formula
C7F2H5NO2
Molecular Weight
173.120000
Exact Mass
173.028835
InChI
InChI=1S/C7H5F2NO2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,1H3
InChIKey
ODMLBEQUDLHJMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.75
TPSA
43.14
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.3
Consensus LogP
2.13
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 914348-89-3 2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDRO ISOQUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914348-89-3.gif)
