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CAS 66033-95-2 6-hydroxy-3-methylbenzo[d]isoxazole-7-carbaldehyde molecular structure lightbox
CAS RN: 66033-95-2

6-hydroxy-3-methylbenzo[d]isoxazole-7-carbaldehyde

  • Product code: SSC-175668
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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: 2
  • 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 66033-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

66033-95-2 / 6-hydroxy-3-methyl-1,2-benzoxazole-7-carbaldehyde

Standard CAS: 66033-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66033-95-2
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
InChI
InChI=1S/C9H7NO3/c1-5-6-2-3-8(12)7(4-11)9(6)13-10-5/h2-4,12H,1H3
InChIKey
AVBUASQLAQAKAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.8
TPSA
63.33

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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