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CAS 29091-40-5 4-METHYL-BENZO(1,2,5)OXADIAZOLE molecular structure lightbox
CAS RN: 29091-40-5

4-METHYL-BENZO(1,2,5)OXADIAZOLE

  • Product code: SSC-131318
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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: 5g, 0.25g, 1g, 0.1g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 29091-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Shanghai Inquiry
1g >97% 3 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

29091-40-5 / 4-methyl-2,1,3-benzoxadiazole

Standard CAS: 29091-40-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29091-40-5
Multi CAS
Yes
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
InChI
InChI=1S/C7H6N2O/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChIKey
PTXJEYIAUIOTSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
36.54
TPSA
38.92

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-2.45

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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