CAS RN: 221241-11-8
2,5-DibroMopyridine-3,4-diaMine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-106461
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, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 1
- 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.
221241-11-8 / 2,5-dibromopyridine-3,4-diamine
Basic Information
CAS
221241-11-8
Multi CAS
No
Molecular Formula
C5H5Br2N3
Molecular Weight
266.920000
Exact Mass
266.882970
SMILES
C1=C(C(=C(C(=N1)Br)N)N)Br
InChI
InChI=1S/C5H5Br2N3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10)
InChIKey
WDTOXRACOCNQRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.46
TPSA
64.93
LogP / Solubility
WLOGP
1.77
MLOGP
1.57
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
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
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