CAS RN: 301220-81-5
3-benzyl-5-bromopyridine
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.20260130 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS301220-81-5
- Purity/Analytical Methods: >99.0%
301220-81-5 / 3-benzyl-5-bromopyridine
Basic Information
CAS
301220-81-5
Multi CAS
No
Molecular Formula
BC12H10Rn
Molecular Weight
248.120000
Exact Mass
246.999660
InChI
InChI=1S/C12H10BrN/c13-12-7-11(8-14-9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIKey
YKFQWSDTFGYJKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.19
TPSA
12.89
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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