CAS RN: 102170-56-9
2-BROMO-6-METHYL-4-NITROANILINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-003441
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, 1g, 500g
- 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% | 4 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 4 In Stock | Beijing | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Beijing | Inquiry |
| 500g | >97% | 1 In Stock | Shenzhen | Inquiry |
102170-56-9 / 2-bromo-6-methyl-4-nitroaniline
2-bromo-6-methyl-4-nitroaniline | DTXSID30303612 | RefChem:257486
Basic Information
CAS
102170-56-9
Multi CAS
Yes
Molecular Formula
C7H7BrN2O2
Molecular Weight
231.050000
Exact Mass
229.969090
SMILES
CC1=CC(=CC(=C1N)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H7BrN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3
InChIKey
DCNWQCOXGLGSRC-UHFFFAOYSA-N
Synonyms
2-bromo-6-methyl-4-nitroaniline
DTXSID30303612
RefChem:257486
DTXCID60254744
Benzenamine, 2-bromo-6-methyl-4-nitro-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.95
TPSA
69.16
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.53
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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