CAS RN: 1177558-42-7
3-BroMo-5-MethylbenzylaMine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-017616
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: 0.1g, 0.25g, 1g, 10g, 5g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 1 In Stock | Shanghai | Inquiry |
1177558-42-7 / (3-bromo-5-methylphenyl)methanamine
3-BROMO-5-METHYLBENZYLAMINE | (3-BROMO-5-METHYLPHENYL)METHANAMINE | MFCD18392012
Basic Information
CAS
1177558-42-7
Multi CAS
No
Molecular Formula
C8H10BrN
Molecular Weight
200.080000
Exact Mass
198.999660
SMILES
CC1=CC(=CC(=C1)Br)CN
InChI
InChI=1S/C8H10BrN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChIKey
HFQTVASWWMLTLZ-UHFFFAOYSA-N
Synonyms
3-BROMO-5-METHYLBENZYLAMINE
(3-BROMO-5-METHYLPHENYL)METHANAMINE
MFCD18392012
1-(3-BROMO-5-METHYLPHENYL)METHANAMINE
SCHEMBL1363875
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.77
TPSA
26.02
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
1.8
Consensus LogP
1.99
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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