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CAS 1391737-98-6 5-Benzyl-2-bromopyridine molecular structure lightbox
CAS RN: 1391737-98-6

5-Benzyl-2-bromopyridine

  • Product code: SSC-049568
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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, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1391737-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1391737-98-6 / 5-benzyl-2-bromopyridine

Standard CAS: 1391737-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391737-98-6
Multi CAS
No
Molecular Formula
C12H10BrN
Molecular Weight
248.120000
Exact Mass
246.999660
SMILES
C1=CC=C(C=C1)CC2=CN=C(C=C2)Br
InChI
InChI=1S/C12H10BrN/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
LPTLXDMSDACHNL-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
3.8
Consensus LogP
3.42
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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