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CAS 1142194-24-8 4-broMo-2-isopropoxypyridine molecular structure lightbox
CAS RN: 1142194-24-8

4-broMo-2-isopropoxypyridine

  • Product code: SSC-014086
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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, 0.25g, 5g
  • Available purity: >97%
  • 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 1142194-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1142194-24-8 / 4-bromo-2-propan-2-yloxypyridine

4-bromo-2-isopropoxypyridine | 4-Bromo-2-isopropoxy-pyridine | 4-BROMO-2-(ISO-PROPOXY)PYRIDINE

Standard CAS: 1142194-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142194-24-8
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CC(C)OC1=NC=CC(=C1)Br
InChI
InChI=1S/C8H10BrNO/c1-6(2)11-8-5-7(9)3-4-10-8/h3-6H,1-2H3
InChIKey
DGDIOQCZNZMIPA-UHFFFAOYSA-N
Synonyms
4-bromo-2-isopropoxypyridine 4-Bromo-2-isopropoxy-pyridine 4-BROMO-2-(ISO-PROPOXY)PYRIDINE 4-bromo-2-propan-2-yloxypyridine Pyridine, 4-bromo-2-(1-methylethoxy)-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.7
TPSA
22.12

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

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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