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CAS 1410164-82-7 3-(Benzyloxy)-5-chloro-2-iodopyrazine molecular structure lightbox
CAS RN: 1410164-82-7

3-(Benzyloxy)-5-chloro-2-iodopyrazine

  • Product code: SSC-051518
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1410164-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

1410164-82-7 / 5-chloro-2-iodo-3-phenylmethoxypyrazine

Standard CAS: 1410164-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1410164-82-7
Multi CAS
No
Molecular Formula
C11H8ClIN2O
Molecular Weight
346.550000
Exact Mass
345.936990
SMILES
C1=CC=C(C=C1)COC2=NC(=CN=C2I)Cl
InChI
InChI=1S/C11H8ClIN2O/c12-9-6-14-10(13)11(15-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
AMLZGGDGOJERJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.53
TPSA
35.01

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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