CAS RN: 1160573-63-6
5-Bromo-2-iodo-4-nitrotoluene
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 100g | Out of stock | Inquiry | |
| Batchno.20250211 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250903 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250330 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250411 | 25g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251201 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-016155
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1160573-63-6 / 1-bromo-4-iodo-5-methyl-2-nitrobenzene
1-bromo-4-iodo-5-methyl-2-nitrobenzene | 5-Bromo-2-iodo-4-nitrotoluene | MFCD11846025
Basic Information
CAS
1160573-63-6
Multi CAS
No
Molecular Formula
C7H5BrINO2
Molecular Weight
341.930000
Exact Mass
340.854840
SMILES
CC1=CC(=C(C=C1I)[N+](=O)[O-])Br
InChI
InChI=1S/C7H5BrINO2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,1H3
InChIKey
OORCPJADBMDQNC-UHFFFAOYSA-N
Synonyms
1-bromo-4-iodo-5-methyl-2-nitrobenzene
5-Bromo-2-iodo-4-nitrotoluene
MFCD11846025
C7H5BrINO2
DTXSID901282113
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
58.25
TPSA
43.14
LogP / Solubility
WLOGP
3.27
MLOGP
2.89
XLogP3
3.5
Consensus LogP
3.22
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
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
