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CAS 2070896-44-3 2,3-Bis(benzyloxy)-5-bromopyridine molecular structure lightbox
CAS RN: 2070896-44-3

2,3-Bis(benzyloxy)-5-bromopyridine

  • Product code: SSC-097490
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 2070896-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

2070896-44-3 / 5-bromo-2,3-bis(phenylmethoxy)pyridine

Standard CAS: 2070896-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2070896-44-3
Multi CAS
No
Molecular Formula
C19H16BrNO2
Molecular Weight
370.200000
Exact Mass
369.036440
SMILES
C1=CC=C(C=C1)COC2=C(N=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16BrNO2/c20-17-11-18(22-13-15-7-3-1-4-8-15)19(21-12-17)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKey
QETQJINSHFBNRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
93.49
TPSA
31.35

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
4.8
Consensus LogP
4.74
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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