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CAS 16727-47-2 2,6-Bis(benzyloxy)-3-bromopyridine molecular structure lightbox
CAS RN: 16727-47-2

2,6-Bis(benzyloxy)-3-bromopyridine

  • Product code: SSC-072959
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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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • 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 16727-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Shanghai Inquiry
500g >97% 2 In Stock Beijing Inquiry
1000g >97% 2 In Stock Shenzhen Inquiry

16727-47-2 / 3-bromo-2,6-bis(phenylmethoxy)pyridine

Standard CAS: 16727-47-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16727-47-2
Multi CAS
No
Molecular Formula
C19H16BrNO2
Molecular Weight
370.200000
Exact Mass
369.036440
SMILES
C1=CC=C(C=C1)COC2=NC(=C(C=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKey
BHPOOUUMRGOCIR-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
5.1
Consensus LogP
4.84
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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