CAS RN: 145743-85-7
Pyridine, 3-bromo-5-(bromomethyl)- (9CI)
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.20250408 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS145743-85-7
- Purity/Analytical Methods: >99.0%
145743-85-7 / 3-bromo-5-(bromomethyl)pyridine
Basic Information
CAS
145743-85-7
Multi CAS
No
Molecular Formula
C6H5Br2N
Molecular Weight
250.920000
Exact Mass
250.876820
SMILES
C1=C(C=NC=C1Br)CBr
InChI
InChI=1S/C6H5Br2N/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,2H2
InChIKey
AJQDEUJYFUHVHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.57
TPSA
12.89
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.1
Consensus LogP
2.42
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.31
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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