CAS RN: 872492-59-6
(3-BroMo-5-Methyl-pyridin-2-yl)-Methyl-aMine
- Product code: SSC-197014
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: 5g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
872492-59-6 / 3-bromo-N,5-dimethylpyridin-2-amine
Basic Information
CAS
872492-59-6
Multi CAS
No
Molecular Formula
BC7H9Rn2
Molecular Weight
201.060000
Exact Mass
199.994910
InChI
InChI=1S/C7H9BrN2/c1-5-3-6(8)7(9-2)10-4-5/h3-4H,1-2H3,(H,9,10)
InChIKey
GUUFXFGRHGKCSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.22
TPSA
24.92
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.39
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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