CAS RN: 138888-98-9
(E)-N’-(5-bromopyridin-2-yl)-N,N-dimethylformimidamide
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.20260107 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS138888-98-9
- Purity/Analytical Methods: >99.0%
138888-98-9 / N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide
Basic Information
CAS
138888-98-9
Multi CAS
No
Molecular Formula
C8H10BrN3
Molecular Weight
228.090000
Exact Mass
227.005810
SMILES
CN(C)C=NC1=NC=C(C=C1)Br
InChI
InChI=1S/C8H10BrN3/c1-12(2)6-11-8-4-3-7(9)5-10-8/h3-6H,1-2H3
InChIKey
KLPIAUFTPZZJFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.78
TPSA
28.49
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.64
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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