CAS RN: 41252-97-5
4-Iodo-2-nitrotoluene
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260614 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260601 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250119 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20260512 | 500g | In stock | Shanghai | Inquiry |
- Product code: SSC-149703
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, 100g
- 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 | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | >97% | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
41252-97-5 / 4-iodo-1-methyl-2-nitrobenzene
Basic Information
CAS
41252-97-5
Multi CAS
No
Molecular Formula
C7H6InO2
Molecular Weight
263.030000
Exact Mass
262.944330
InChI
InChI=1S/C7H6INO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey
QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.55
TPSA
43.14
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.8
Consensus LogP
2.51
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.54
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
