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CAS 72692-90-1 2,4-Dimethylbenzoxazole molecular structure lightbox
CAS RN: 72692-90-1

2,4-Dimethylbenzoxazole

  • Product code: SSC-182180
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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, 0.1g, 0.25g
  • Available purity: >97%
  • 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 72692-90-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry

72692-90-1 / 2,4-dimethyl-1,3-benzoxazole

Standard CAS: 72692-90-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72692-90-1
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO/c1-6-4-3-5-8-9(6)10-7(2)11-8/h3-5H,1-2H3
InChIKey
GLTSBRUWOZVDLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
43.48
TPSA
26.03

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-1.88

Drug-likeness / Medicinal Chemistry

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

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